An intuitive method is presented for detecting pseudosymmetries in Z' > 1 cases as a complement to well-proven strategies already available in the literature. It is based in the simple idea that the mid-points between equivalent atoms in symmetrically related mol­ecules are disposed according to simple well-known patterns, which are easily recognizable by optical inspection. A number of Z' = 4 cases in the literature are analyzed, which allows some of the potentialities of the method to be revealed.

The crystal structure of tri­phenyl­methanol, C19H16O, has been redetermined using data collected at 295 and 153 K, and is compared to the model published by Ferguson et al. over 25 years ago [Ferguson et al. (1992). Acta Cryst. C48, 1272–1275] and that published by Serrano-González et al., using neutron and X-ray diffraction data [Serrano-González et al. (1999). J. Phys. Chem. B, 103, 6215–6223]. As predicted by these authors, the hy­droxy groups are involved in weak inter­molecular hydrogen bonds in the crystal, forming tetra­hedral tetra­­mers based on the two independent mol­ecules in the asymmetric unit, one of which is placed on the threefold symmetry axis of the Roverline{3} space group. However, the reliable determination of the hy­droxy H-atom positions is difficult to achieve, for two reasons. Firstly, a positional disorder affects the full asymmetric unit, which is split over two sets of positions, with occupancy factors of ca 0.74 and 0.26. Secondly, all hy­droxy H atoms are further disordered, either by symmetry, or through a positional disorder in the case of parts placed in general positions. We show that the correct description of the hydrogen-bonding scheme is possible only if diffraction data are collected at low temperature. The pro­chiral character of the hydrogen-bonded tetra­meric supra­molecular clusters leads to enanti­omorphic three-dimensional graphs in each tetra­mer. The crystal is thus a racemic mixture of supS and supR motifs, consistent with the centro­symmetric nature of the Roverline{3} space group.

Experimental electron-density studies based on high-resolution diffraction experiments allow halogen bonds between heavy halogens to be classified. The topological properties of the electron density in Cl⋯Cl contacts vary smoothly as a function of the inter­action distance. The situation is less straightforward for halogen bonds between iodine and small electronegative nucleophiles, such as nitro­gen or oxygen, where the electron density in the bond critical point does not simply increase for shorter distances. The number of successful charge–density studies involving iodine is small, but at least individual examples for three cases have been observed. (a) Very short halogen bonds between electron-rich nucleophiles and heavy halogen atoms resemble three-centre–four-electron bonds, with a rather symmetric heavy halogen and without an appreciable σ hole. (b) For a narrow inter­mediate range of halogen bonds, the asymmetric electronic situation for the heavy halogen with a pronounced σ hole leads to rather low electron density in the (3,−1) critical point of the halogen bond; the properties of this bond critical point cannot fully describe the nature of the associated inter­action. (c) For longer and presumably weaker contacts, the electron density in the halogen bond critical point is only to a minor extent reduced by the presence of the σ hole and hence may be higher than in the aforementioned case. In addition to the electron density and its derived properties, the halogen–carbon bond distance opposite to the σ hole and the Raman frequency for the associated vibration emerge as alternative criteria to gauge the halogen-bond strength. We find exceptionally long C—I distances for tetra­fluoro­diiodo­benzene molecules in cocrystals with short halogen bonds and a significant red shift for their Raman vibrations.

The enanti­opure monopyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-but­oxy-1-cyano-2-oxo­ethyl­idene)pyrrolidine-2-carboxyl­ate, C13H18N2O4, (1), represents a potential ligand and an attractive inter­mediate for the synthesis of chiral metal com­plexes. At the mol­ecular level, the com­pound features an intra­molecular N—H⋯O hydrogen bond; neighbouring mol­ecules inter­act via N—H⋯N contacts to form chains along [100]. Due to its elemental com­position, resonant scattering of the target com­pound is entirely insignificant for diffraction experiments with Mo Kα and small even for Cu Kα radiation. A preliminary study with the harder radiation type confirmed the chiral space group and the suitability of the single crystal chosen; as expected, the results concerning the absolute structure remained com­pletely inconclusive. A second data collection with the longer wavelength gave satisfactory quality indicators for the correct handedness of the mol­ecule, albeit with high standard uncertainties. The absolute configuration has been assessed independently: CD spectra for both enanti­omers of the target mol­ecule were calculated and the spectrum for the S-configured stereoisomer was in agreement with the experiment. The Cotton effect of (1) may be ascribed to π–π* transitions from HOMO to LUMO and from HOMO to LUMO+1. As both independent techniques agree with respect to the handedness of the target mol­ecule, the absolute structure may be assigned with a high degree of confidence.

The com­pound poly[2-hy­droxy-N-methyl­ethan-1-aminium [μ3-cyanido-κ3C:C:N-di-μ-cyanido-κ4C:N-dicuprate(I)]], {(C3H10NO)[Cu2(CN)3]}n or [meoenH]Cu2(CN)3, crystallizes in the tetra­gonal space group P43. The structure consists of a three-dimensional (3D) anionic CuICN network with noncoordinated protonated N-methyl­ethano­lamine cations providing charge neutrality. Pairs of cuprophilic Cu atoms are bridged by the C atoms of μ3-cyanide ligands, which link these units into a 43 spiral along the c axis. The spirals are linked together into a 3D anionic network by the two other cyanide groups. The cationic moieties are linked into their own 43 spiral via N—H⋯O and O—H⋯O hydrogen bonds, and the cations inter­act with the 3D network via an unusual pair of N—H⋯N hydrogen bonds to one of the μ2-cyanide groups. Thermogravimetric analysis indicates an initial loss of the base cation and one cyanide as HCN at temperatures in the range 130–250 °C to form CuCN. We show how loss of a specific cyanide group from the 3D CuCN structure could form the linear CuCN structure. Further heating leaves a residue of elemental copper, isolated as the oxide.

The positional change of nitro­gen-7 of the RNA constituent guanosine to the bridgehead position-5 leads to the base-modified nucleoside 5-aza-7-de­aza­guanosine. Contrary to guanosine, this mol­ecule cannot form Hoogsteen base pairs and the Watson–Crick proton donor site N3—H becomes a proton-acceptor site. This causes changes in nucleobase recognition in nucleic acids and has been used to construct stable `all-purine' DNA and DNA with silver-mediated base pairs. The present work reports the single-crystal X-ray structure of 7-iodo-5-aza-7-de­aza­guanosine, C10H12IN5O5 (1). The iodinated nucleoside shows an anti conformation at the glycosylic bond and an N conformation (O4'-endo) for the ribose moiety, with an anti­periplanar orientation of the 5'-hy­droxy group. Crystal packing is controlled by inter­actions between nucleobase and sugar moieties. The 7-iodo substituent forms a contact to oxygen-2' of the ribose moiety. Self-pairing of the nucleobases does not take place. A Hirshfeld surface analysis of 1 highlights the contacts of the nucleobase and sugar moiety (O—H⋯O and N—H⋯O). The concept of pK-value differences to evaluate base-pair stability was applied to purine–purine base pairing and stable base pairs were predicted for the construction of `all-purine' RNA. Furthermore, the 7-iodo substituent of 1 was functionalized with benzo­furan to detect motional constraints by fluorescence spectroscopy.

Crystals of the rare earth metal polytelluride LaTe1.82(1), namely, lanthanum telluride (1/1.8), have been grown by molten alkali halide flux reactions and vapour-assisted crystallization with iodine. The two-dimensionally incommensurately modulated crystal structure has been investigated by X-ray diffraction experiments. In contrast to the tetra­gonal average structure with unit-cell dimensions of a = 4.4996 (5) and c = 9.179 (1) Å at 296 (1) K, which was solved and refined in the space group P4/nmm (No. 129), the satellite reflections are not compatible with a tetra­gonal symmetry but enforce a symmetry reduction. Possible space groups have been derived by group–subgroup relationships and by consideration of previous reports on similar rare earth metal polychalcogenide structures. Two structural models in the ortho­rhom­bic superspace group, i.e. Pmmn(α,β,1 over 2)000(−α,β,1 over 2)000 (No. 59.2.51.39) and Pm21n(α,β,1 over 2)000(−α,β,1 over 2)000 (No. 31.2.51.35), with modulation wave vectors q1 = αa* + βb* + 1 over 2c* and q2 = −αa* + βb* + 1 over 2c* [α = 0.272 (1) and β = 0.314 (1)], have been established and evaluated against each other. The modulation describes the distribution of defects in the planar [Te] layer, coupled to a displacive modulation due to the formation of different Te anions. The bonding situation in the planar [Te] layer and the different Te anion species have been investigated by density functional theory (DFT) methods and an electron localizability indicator (ELI-D)-based bonding analysis on three different approximants. The temperature-dependent electrical resistance revealed a semiconducting behaviour with an estimated band gap of 0.17 eV.

During evaporation of natural and synthetic K–Mg–Cl brines, the formation of almost square plate-like crystals of potassium carnallite (potassium chloride magnesium dichloride hexa­hydrate) was observed. A single-crystal structure analysis revealed a monoclinic cell [a = 9.251 (2), b = 9.516 (2), c = 13.217 (4) Å, β = 90.06 (2)° and space group C2/c]. The structure is isomorphous with other carnallite-type com­pounds, such as NH4Cl·MgCl2·6H2O. Until now, natural and synthetic carnallite, KCl·MgCl2·6H2O, was only known in its ortho­rhom­bic form [a = 16.0780 (3), b = 22.3850 (5), c = 9.5422 (2) Å and space group Pnna].

A screenshot from Maroon 5's "Sugar" music video.; Credit: Maroon 5

Maroon 5 has a new music video built around a simple, viral-bait premise: Adam Levine and the rest of the band trying to crash as many weddings around Los Angeles as they can in one day (Dec. 6 of last year). It's a lot of fun, directed by "Wedding Crashers" movie director David Dobkin, but it appears that some of those "crashed weddings" may have been staged.

Watch the video (warning: contains adult language):

Maroon 5: Sugar

Fans have noticed that several of the couples seen in the video appear to be actors. Actors Stephen and Barbara Woo posted on Facebook that they played the parents of one of the brides in the video and said that not only were the weddings staged, they didn't even take place on one day, claiming that all the weddings were shot in the same location over the course of three days.

Facebook post by actors

The groom from the wedding featured the most in the video has been named by observers as Nico Evers-Swindell, according to Cosmopolitan. Evers-Swindell was already married to actress Megan Ferguson since 2011 — and she's not the "bride" in the video.

Fans have fingered one of the models as "America's Next Top Model" runner-up Raina Hein, according to Cosmopolitan. Also, the man believed to be her long-term boyfriend isn't the groom in the Maroon 5 weddings.

Don't lose heart, though — at least one of the weddings in the video appears to be real, with wedding photographer Duke Khodaverdian telling E! that yes, it was the real deal.

"It was an incredible surprise and everyone at the wedding is going to cherish those memories," Khodaverdian told E! in December.

Instagram 1

Instagram 2

A representative for the band told "Entertainment Tonight" that only the grooms knew about the band in each case — but it looks like that means in the case of the real crashed weddings. The representative did concede that some shots "had to be shot separately from the real weddings due to time and space constraints that were given," and the article does note that the video was shot over three days.

Levine expressed his excitement about crashing the weddings in an interview with People magazine.

"I had no idea I would be affected by the overwhelming reactions we received from the couples and guests," Levine said. He told "Entertainment Tonight" that it was stressful to arrange, but that the surprise felt good. "[We were] happy that they liked our band, too – [that] would have been a total disaster."

They also solicited Twitter to find people lip-syncing "Sugar" to possibly put in their music video, but it doesn't look like those submissions got used.

Maroon 5 Sugar tweet

If you want to see Levine involved in a different dubious outfit, you can see him back hosting "The Voice" on Feb. 23. Open call auditions for the show begin Jan. 24 in New York, with Los Angeles auditions on Jan. 31 and Feb. 1.

Did you spot any more actors you recognize in this video? Do you have any more evidence of any of these weddings being either real or faked? Let me know on Twitter at @MikeRoe.

This content is from Southern California Public Radio. View the original story at SCPR.org.

Announcement cards and envelopes by designer Marc Friedland which are used by presenters at the Oscars to announce winners are on display at the food and decor preview Feb. 4, 2015 of this years Governors Ball, the post-Oscar celebration which follows the 87th Oscars ceremony on Feb. 22 in Hollywood.; Credit: Robyn Beck/AFP/Getty Images

Ready for your 2015 Oscars party? We've got printable Oscars ballots and the bingo cards you need to prove your superiority over your movie-loving friends during your Academy Awards viewing party. Here are the party printables you'll need to play along with Sunday's show, with TV coverage kicking off at 4 p.m. Pacific. (Get caught up on KPCC's 2015 Oscars coverage right here to have more fun and help make your picks!)

Printable official Oscars ballot

• Download, print, and play at home. Listen to "The Frame's" preview of the Academy Awards, see what "FilmWeek's" critics have to say about who will win, then make your own decisions on Sunday. Our crystal ball Oscars predictor/awards tracker can also help the prognostication efforts with a rundown of nominee buzz, awards already won, official trailers, photos and more.
• You can also play along with friends online on the official Academy Awards site or with the New York Times. (If you want to see KPCC's Mike Roe's picks and play against him in either online game, go here for the official site and here for the New York Times.)

2015 Oscars ballot

Printable Oscars bingo cards

• Download, print and play at home. Use our custom generator to create as many cards as you need for your party.
• How to play: Mark off each block when you hear these words or see these things happen during the Oscars telecast on Sunday. When you get five blocks in a row (horizontally, vertically, or diagonally) stand up and shout "OSCAR!!" Alternate rules: Play as a drinking game and for every block, take a sip. Finished a row? Finish your scotch.

Interactive Oscars bingo cards 

• WNYC pays tribute to the annual exercise in entertainment award show parody with a portable, computerized bingo. Play on your phone, iPad, computer or print a card. Refresh for new combinations.

This content is from Southern California Public Radio. View the original story at SCPR.org.

Features of azimuthal plots for RHEED and its new counterpart, RHEPD, are discussed. The plots, for both electrons and positrons, are determined using dynamical diffraction theory.

A method is described for indexing grazing-incidence X-ray diffraction data of epitaxially grown thin films comprising various crystal orientations and/or polymorphs by measuring reciprocal-lattice vectors.

A method is adapted to generate a full rank realization of an abstract regular polyhedron with automorphism group H3.

To describe multiple Bragg reflection from a thick, ideally imperfect crystal, the transport equations are reformulated in three-dimensional phase space and solved by spectral collocation in the depth coordinate. Example solutions illustrate the orientational spread of multiply reflected rays and the distortion of rocking curves, especially for finite detectors.

Physical quantities in arbitrary dimensional space can be classified into 41 types using three antisymmetries within the framework of Clifford algebra.

A new type of X-ray LLL interferometer, a `hard' interferometer, which has both a base and a `ceiling', is tested for experimental investigations. The tested interferometer has no preliminary uncontrollable moiré and can be used for object and deformation investigations.

The Debye scattering equation (DSE) is generalized and augmented in order to account for moderate texture effects, yielding the differential cross section as a function of atomic coordinates and texture coefficients subject to symmetry constraints. Implications for the evaluation of the pair distribution function (PDF) as a direct transform of powder diffraction data from textured samples are also discussed.

Quaternion methods for obtaining solutions to the problem of finding global rotations that optimally align pairs of corresponding lists of 3D spatial and/or orientation data are critically studied. The existence of multiple literatures and historical contexts is pointed out, and the algebraic solutions of the quaternion approach to the classic 3D spatial problem are emphasized. The treatment is extended to novel quaternion-based solutions to the alignment problems for 4D translation and orientation data.

The inversion of X-ray reflectivity to reveal the topography of a one-dimensional interface is evaluated through model calculations.

A Landau theory for the wurtzite-based heterovalent ternary semiconductor ZnSnN2 is developed and a first-order reconstructive phase transition is proposed as the cause of observed crystal structure disorder. The model infers that the phase transition is paraelectric to antiferroelectric.

The analytical solution of the problem of X-ray spherical-wave Laue diffraction in a single crystal with a linear change of thickness on the exit surface is derived. General equations are applied to a specific case of plane-wave Laue diffraction in a thick crystal under the conditions of the Borrmann effect.

Using mineralogical data, it is demonstrated that chemical simplicity measured as an amount of Shannon information per atom on average corresponds to higher symmetry measured as an order of the point group of a mineral, which provides a modern formulation of the Fedorov–Groth law.

Working in a lab is safe most of the time, “except when it isn’t, and that’s when being alone compounds the danger,” says a new lab safety video about working alone. You can watch it on YouTube or download it for offline viewing from the American Chemical Society’s Division of Chemical Health and Safety website. […]

The post Don’t work in the lab alone appeared first on CENtral Science.

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