forthcoming articles

The following articles are a selection of those recently accepted for publication in IUCr journals.

IUCrJ
Accepted 11 September 2019

Throughput and resolution with a next-generation direct electron detector

The superior image quality given by the DE64 direct detector in counting mode is more important for high-resolution cryo-EM reconstructions than the superior throughput of the DE64 in integrating mode.

Accepted 10 September 2019

CryoEM at 100 keV: a demonstration and prospects

Several structures are determined by single-particle cryoEM at 100 keV; the implications for future electron cryomicroscopes is considered.

Accepted 9 September 2019

R\bar 3c-type LnNiO3 (Ln = La, Ce, Nd, Pm, Gd, Tb, Dy, Ho, Er, Lu) half-metals with multiple Dirac cones: a potential class of advanced spintronic materials

In this study, an experimentally synthesized DHM LaNiO3 is discovered with many Dirac cones and complete spin polarization near the Fermi level via first principles; it is also shown that the crystal structures of these materials are strongly correlated with their physical properties.

Accepted 5 September 2019

Consistency and variability of positional isomerism cocrystals: self-assembly evolution mechanism of supramolecular synthons of cresol–piperazine

The consistency and variability as well as self-assembly evolution mechanism of cresol–piperazine cocrystals is investigated by experiments and molecular simulation.

Accepted 5 September 2019

Crystal structure of the putative cyclase IdmH from the indanomycin nonribosomal peptide synthase/polyketide synthase

The crystal structure of IdmH from the biosynthetic gene cluster for indanomycin is presented. NMR data shows that this enzyme binds its postulated product, indanomycin, and QM/MM modelling of the reaction strongly supports the view that IdmH catalyses indane-ring formation in indanomycin biosynthesis via a Diels–Alder reaction.

Accepted 21 August 2019

High-throughput structures of protein–ligand complexes at room temperature using serial femtosecond crystallography

The ability to rapidly obtain structures of protein–ligand complexes using X-ray crystallography is central to drug discovery, but the typical cryocooling of samples and the effects of the X-ray beam may distort the observed ligand binding. X-ray free-electron lasers (XFELs) have the promise to solve these issues, but methods to rapidly produce structures of protein–ligand complexes at XFELs have not yet been realized. Here, an efficient solution using high-throughput, fixed-target serial femtosecond crystallography at an XFEL is demonstrated.

Accepted 16 August 2019

A comparative study of single-particle cryo-EM with liquid-nitrogen and liquid-helium cooling

Radiation damage is the most fundamental limitation for achieving high resolution in cryo-EM, and is expected to be reduced at liquid-helium temperature. Surprisingly, cryo-EM reconstructions of apoferritin samples cooled with liquid helium showed no improvement in resolution over liquid-nitro­gen-cooled samples, but showed substantially more beam-induced particle motion.
Journal logoActa Crystallographica Section A
Acta Crystallographica
Section A
FOUNDATIONS AND ADVANCES

Accepted 3 September 2019

Relativistic correction of atomic scattering factors for high-energy electron diffraction

Relativistic electron diffraction depends on terms linear and quadratic in the electric potential, the latter being neglected in the frequently used relativistically corrected Schrödinger equation. Conventional tabulations for electron scattering and its large-angle extrapolations can be amended in closed form by a universal correction based on the screened Coulomb potential squared.

Accepted 28 August 2019

X-ray interference fringes from a weakly bent plane-parallel crystal with negative strain gradient

In the waves emitted from the entrance, back and lateral surfaces of a very weakly bent plane-parallel perfect crystal with negative strain gradient, X-ray interference fringes between two refracted beams with different hyperbolic trajectories were observed when the strain was very weak, of the order of 10−7.

Accepted 20 August 2019

Accepted 20 August 2019

A universal algorithm for finding the shortest distance between systems of points

A universal and effective algorithm is proposed for geometrical comparison of abstract sets of n points in Euclidean space. Applications of the algorithm for comparison of both finite (ligands) and periodic (nets) chemical objects are considered.

Accepted 19 August 2019

Perfect colorings of patterns with multiple orbits


Accepted 15 August 2019

Crystallography of three-dimensional fluid flows with chirality in hexagonal cases

Magnetic groups are applied to three-dimensional fluid flows with chirality, which are called Beltrami flows. Eight Beltrami flows are derived and studied using Wyckoff positions. The crystal-like structures of their tube-like surfaces called invariant tori are numerically observed.

Accepted 14 August 2019

Bayesian machine learning improves single-wavelength anomalous diffraction phasing


Accepted 7 August 2019

X-ray constrained spin-coupled technique: theoretical details and further assessment of the method

A new method that extends the Jayatilaka X-ray constrained wavefunction approach in the framework of the spin-coupled technique of the valence bond theory is presented. The proposed strategy enables the extraction of traditional chemical information (e.g. weights of resonance structures) from experimental X-ray diffraction data without imposing constraints a priori or performing further analyses a posteriori.

Accepted 8 July 2019

Berry Phases in Electronic Structure Theory. Electric Polarization, Orbital Magnetization and Topological Insulators

Journal logoActa Crystallographica Section B
Acta Crystallographica
Section B
STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

Accepted 13 September 2019

Three-dimensional morphology of anatase nanocrystals obtained from supercritical flow synthesis with industrial grade TiOSO4 precursor

Anatase nanocrystals are synthesized from industrial grade titanyl sulfate precursor in a supercritical flow reactor and crystal morphology is extensively characterized using Powder X-ray Diffraction, Transmission Electron Microscopy and Raman spectroscopy.

Accepted 11 September 2019

Co-crystals. Preparation, Characterization and Applications


Accepted 8 September 2019

Polymorphs of 2,4,6-tris­(4-pyridyl)-1,3,5-triazine and their mechanical properties

Abstract A new crystalline phase of the crystal sponge ligand 2,4,6-tris­(4-pyridyl)-1,3,5-triazine was obtained as long needles showing elastic bending behaviour, in contrast with the known phase which is brittle under mechanical force.

Accepted 6 September 2019

Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitro­aniline salts with various inorganic acids

Abstract Hydrogen bonding patterns of six 2-methyl-5-nitro­anilinium salts were analysed using graph-set approach and mathematical relations among graph-set descriptors were presented. Conformation of the H2Me5NA+ ion was characterized by quantum chemical calculations, strength of hydrogen bonds were analysed by IR spectroscopy.

Accepted 6 September 2019

Highly luminescent crystals of a novel linear π-conjugated thio­phene-phenyl­ene co-oligomer with benzo­thia­diazole fragment

Synthesis, growth from solutions, structure and photoluminescence of crystals of a new linear thio­phene-phenyl­ene co-oligomer (TMS-2 T-Ph)2-BTD with a central benzo­thia­diazole fragment within the conjugated core are presented.

Accepted 3 September 2019

Atomic atmosphere: a way to understand phase evolution during vanadium slag roasting at the atomic level

The concept of `atomic atmosphere' is proposed, which includes chemical state, chemical and spatial environments, to uncover the atomic level reaction mechanism of crystal-involved solid reactions.

Accepted 3 September 2019

Hardening tungsten carbide by alloying elements with high work function

Alloying elements with high work functions can increase the electron density of WC and strengthen its bonds, leading to higher hardness. A new type of Re-alloyed tungsten carbide was synthesized for the first time with remarkably increased high hardness.

Accepted 28 August 2019

Phase transitions in Bi4Ti3O12

The Landau-type phase diagram describing the temperature phase transitions in the layered perovskite ferroelectric Bi4Ti3O12 is constructed.

Accepted 25 August 2019

Agomelatine–hydro­quinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship

A new polymorph of agomelatine–hydro­quinone cocrystal (form III) was identified as the most stable polymorph at room temperature by thermal, slurry and solubility experiments.

Accepted 13 August 2019

Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole

A detailed investigation is presented of the experimental and theoretical charge density and electrostatic properties of the metronidazole molecule. The topological properties of electron density reveal the charge-density distribution of the molecule and non-bonding regions.

more ...
Journal logoActa Crystallographica Section C
Acta Crystallographica
Section C
STRUCTURAL CHEMISTRY

Accepted 4 September 2019

Absolute structure of the chiral pyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-but­oxy-1-cyano-2-oxo­ethyl­idene)pyrrolidine-2-carboxyl­ate, a com­pound with low resonant scattering

The light-atom com­pound (2S)-methyl (Z)-5-(2-tert-but­oxy-1-cyano-2-oxo­ethyl­idene)pyrrolidine-2-carboxyl­ate is an enanti­opure coordination partner for cations. Despite its only minor resonant scattering, the absolute structure was determined by a combination of diffraction, CD spectroscopy and theoretical calculations.

Accepted 31 August 2019

A concise and efficient synthesis of amino-substituted (1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the mol­ecular and supra­molecular structures of six examples

Syntheses are reported for a series of amino-substituted (1H-benzo[d]imidazol-1-yl)pyrimidines and structures are reported for six products of this type. Multiple hydrogen bonds generate supra­molecular structures in two or three dimensions.

Accepted 28 August 2019

Polymorphism and photoluminescence properties of K3ErSi2O7

The crystal structures of two tripotassium erbium disilicate, K3ErSi2O7, polymorphs synthesized by high-temperature flux crystal growth were determined by single-crystal X-ray diffraction analysis. Powder X-ray diffraction, photoluminescence spectroscopy and scanning electron microscopy equipped with an energy dispersive X-ray spectrometer elucidated differences between the two polymorphs.

Accepted 27 August 2019

Synthesis, crystal structure solution and characterization of two organic–inorganic hybrid layered materials based on metal sulfates and 1,4-phenyl­enedi­amine

The powder X-ray diffraction technique was used to determine the crystal structures of two new organic–inorganic hybrid materials forming three-dimensional networks composed of alternating organic and inorganic layers. Thermal stability tests of the materials indicated that one is stable up to 537 K and the other is stable up to 437 K.

Accepted 21 August 2019

Two precatalysts for application in propargylic CH activation

The complexes [Rh(NBD)(DPEPhos)]BF4 and [Rh(COD)(DPEPhos)]BF4·CH2Cl2 {DPEPhos is bis­[(2-di­phenyl­phosphan­yl)phen­yl] ether, NBD is norborna-2,5-diene and COD is cyclo­octa-1,5-diene} are applied as precatalysts. In addition, the catalytically inactive penta­coordinated 18-electron complex [RhCl(NBD(DPEPhos)] was synthesized, which forms in the presence of chloride in the reaction system.
Journal logoActa Crystallographica Section D
Acta Crystallographica
Section D
STRUCTURAL BIOLOGY

Accepted 17 September 2019

SAD phasing of XFEL data depends critically on the error model

SAD phasing of XFEL data is shown to require accurate error estimates from the merged reflection intensities. Various methods of treating the errors are presented, including a best-practice approach that refines error correction terms using a nonlinear least-squares method.

Accepted 17 September 2019

Structure of Sonic hedgehog protein in complex with zinc(II) and manganese(II) reveals ion-coordination plasticity relevant to peptide drug design

The Sonic hedgehog (Shh) protein is essential for embryonic patterning but can contribute to various cancers when the underlying signaling pathway is aberrantly activated. Here, the structure of the human Shh signaling domain is presented in complex with octahedrally coordinated Zn2+ and Mg2+ ions at 1.43 Å resolution that give rise to localized changes. The modes of ion coordination are compared to previous structures determined in isolation or in complex with binding partners, which reveals significant plasticity in the modes of metal coordination that has implications for the design of peptide drugs to repress the signaling pathway.

Accepted 12 September 2019

Structure determination of the nucleosome core particle by selenium SAD phasing

The structure of the human nucleosome core particle was solved by selenium SAD phasing. The present study demonstrates that nucleosome structures can be readily determined by experimental phasing and provides a method for solving nucleosome structures by X-ray crystallography in cases where the phase information is difficult to obtain by molecular replacement.

Accepted 11 September 2019

Well-based crystallization of lipidic cubic phase microcrystals for serial X-ray crystallography experiments

A novel method is presented to screen for suitable crystallization conditions and produce large amounts of microcrystals of membrane proteins in lipidic cubic phase for serial crystallography experiments.

Accepted 28 August 2019

Flexible workflows for on-the-fly electron-microscopy single-particle image processing using Scipion

The Scipion framework allows very flexible image-processing workflows to be generated and employed at electron-microscopy facilities, such that image acquisition can be monitored and possible problems detected, thereby enabling early decisions to be made on the fly. The streaming workflow can be very simple or extended, permitting the data resolution and heterogeneity to be estimated and adapted to the desire of the user and the microscope operator.

Accepted 28 August 2019

The flavin mononucleotide cofactor in α-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level


Accepted 15 August 2019

Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in PHENIX

Recent developments in the PHENIX software package are described in the context of macromolecular structure determination using X-rays, neutrons and electrons.

Accepted 13 August 2019

Visualization of protein crystals by high-energy phase-contrast X-ray imaging

High-energy phase-contrast X-ray microscopy and tomography of protein crystals in an optically opaque matrix is demonstrated with micrometre resolution on the macromolecular crystallography beamline P14 at PETRA III.

Accepted 16 July 2019

Non-merohedral twinning: from minerals to proteins

Examples are presented of successful data-processing, phasing and refinement strategies for non-merohedral twins, covering the range from minerals to proteins.
Journal logoActa Crystallographica Section E
Acta Crystallographica
Section E
CRYSTALLOGRAPHIC COMMUNICATIONS

Accepted 19 September 2019

Crystal structure and Hirshfeld surface analysis of 2-amino­pyridinium hydrogen phthalate

New proton-transfer single crystals of 2-amino­pyridinium phthalate were obtained with the aim to getting a new non-linear optical material, which is achieved with the help of extensive hydrogen-bonding inter­actions between the ions.

Accepted 19 September 2019

In situ deca­rbonylation of N,N-di­methyl­formamide to form di­methyl­ammonium cations in the hybrid framework compound {[(CH3)2NH2]2Zn[(O3PC6H2(OH)2PO3]}

In the title hybrid organic–inorganic compound, the (CH3)2NH2+ cations inter­act with the zinc–phospho­nate framework via N—H⋯O hydrogen bonds. The (CH3)2NH2+ cations were formed by the in situ deca­rbonylation of the N,N-di­methyl­formamide (DMF) solvent.

Accepted 18 September 2019

Crystal structures of three hexa­(fluoroar­yloxy)cyclo­triphosphazenes

The syntheses and crystal structures of three cyclo­triphosphazenes, all with fluorinated ar­yloxy side groups that generate different steric characteristics are reported.

Accepted 18 September 2019

Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfan­yl]-N-(2-meth­oxy­phen­yl)acetamide

In the title compound, there are two intra­molecular N—H⋯O and N—H⋯N hydrogen bonds, forming S(5) and S(7) ring motifs, respectively. In the crystal, pairs of C—H⋯O hydrogen bonds link mol­ecules into inversion dimers with R_{2}^{2}(14) ring motifs, stacked along the b-axis direction. The inversion dimers are linked by C—H⋯π and π–π-stacking inter­actions, forming a three-dimensional network.

Accepted 18 September 2019

Crystal structure of poly[di­aqua­tetra-μ2-cyanidoiron(II)platinum(II)] diacetone

In the title polymeric complex, the tetra­cyano­platinate anions bridge the FeII cations to form infinite two-dimensional layers that propagate along the bc plane. Two guest mol­ecules of acetone per FeII are located between the layers. These guest acetone mol­ecules inter­act with the coordinated water mol­ecules by O—H⋯O hydrogen bonds.

Accepted 18 September 2019

The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6 b,7,9,11a-hexa­hydro­spiro­[chromeno[3′,4′:3,4]pyrrolo­[1,2-c]thia­zole-11,11′-indeno­[1,2-b]quinoxaline] and 6′-(naphthalen-1-yl)-6a'-nitro-6′,6a',6b',7′,8′,9′,10′,12a′-octa­hydro-2H-spiro­[ace­naphthyl­ene-1,12′-chromeno[3,4-a]indolizin]-2-one

The crystal structures of the title spiro derivatives are described and the analysis of the inter­molecular contacts in the crystals using Hirshfeld surface analysis and two-dimensional fingerprint plots is reported.

Accepted 14 September 2019

Crystal structures of 3-chloro-2-nitro­benzoic acid with quinoline derivatives: 3-chloro-2-nitro­benzoic acid–5-nitro­quinoline (1/1), 3-chloro-2-nitro­benzoic acid–6-nitro­quinoline (1/1) and 8-hy­droxy­quinolinium 3-chloro-2-nitro­benzoate

The structures of the two isomeric hydrogen-bonded 1:1 co-crystals of 3-chloro-2-nitro­benzoic acid with 5-nitro­quinoline and 6-nitro­quinoline, and the 1:1 salt of 3-chloro-2-nitro­benzoic acid with 8-hy­droxy­qunoline have been determined at 190 K. In each crystal, the acid and base mol­ecules are linked by a short O—H⋯N or N—H⋯O hydrogen bond.

Accepted 13 September 2019

Crystal structure and Hirshfeld surface analysis of N-(tert-but­yl)-2-(phenyl­ethyn­yl)imidazo[1,2-a]pyridin-3-amine

In the title compound, the phenyl ring of the phenyl-ethynyl substituent is inclined to the mean plane of the imidazo[1,2-a]pyridine moiety by 18.2 (1)°.

Accepted 22 June 2019

Synthesis and structure of 2,4,6-tri­cyclo­butyl-1,3,5-trioxane

The synthesis and structure of the substituted trioxane compound 2,4,6,-tri­cyclo­butyl-1,3,5-trioxane is described. The three cyclo­butane rings attached to the 1,3,5-trioxane six-membered ring are all in a cis arrangement. The compound may find application as a stable trimeric form of the fragile cyclo­butane carbaldehyde.
Journal logoActa Crystallographica Section F
Acta Crystallographica
Section F
STRUCTURAL BIOLOGY COMMUNICATIONS

Accepted 11 September 2019

Rv0100, a proposed acyl carrier protein in Mycobacterium tuberculosis: expression, purification and crystallization

Rv0100 is an essential acyl carrier protein for the pathogenesis and growth of M. tuberculosis. Using M. smegmatis as a host, Rv0100 was successfully cloned, purified and crystallized, and the crystals diffracted to 1.9 Å resolution.

Accepted 2 September 2019

Crystal structure of the N-terminal domain of the fibronectin-binding protein PavA from Streptococcus pneumoniae

Pneumococcal adherence and virulence factor A (PavA) plays a key role in the adhesion of S. pneumoniae to host tissues. Here, the crystal structure of the N-terminal domain of PavA is presented, which reveals structural differences from its homologs.

Accepted 2 September 2019

Structure of an RNA helix with pyrimidine mismatches and cross-strand stacking

The structure of a 22-base-pair RNA helix with mismatched pyrimidine base pairs is reported. The pyrimidine mismatches are unusual and display sheared, cross-strand stacking geometries that locally constrict the helical width.

Accepted 1 September 2019

Automatic annotation of protein residues in published papers

This work presents an annotation tool that automatically locates amino-acid residues in published papers and matches them to protein structures within the work in question. These matches can be provided in context or in a searchable format in order for researchers to better use the existing and future literature.
Journal logoJournal of Applied Crystallography Journal of Applied
Crystallography

Accepted 18 September 2019

X-ray back-diffraction: Can we further increase its energy resolution tuning the energy slightly below that of exact backscattering?

Abstract X-ray back-diffraction (XBD) corresponding to the condition where the energies are tuned slightly below that of exact backscattering (labeled residual XBD) has been characterized to check if under this extreme condition the energy resolution can be further improved.

Accepted 16 September 2019

High-viscosity sample injection device for serial femtosecond crystallography at atmospheric pressure High-viscosity sample injection device for serial femtosecond crystallography at atmospheric pressure

Abstract High-viscosity cartridge-type injector for serial femtosecond crystallography. Abstract High-viscosity cartridge-type injector for serial femtosecond crystallography.

Accepted 10 September 2019

Dynamical theory of diffraction in a crystal modulated by a surface acoustic wave in the case of spatially restricted X-ray beams

Dynamical theory of X-ray diffraction in a crystal modulated by a surface acoustic wave has been developed for spatially restricted beams. This approach allows one to calculate Reciprocal Space Maps and their vertical and lateral cross sections.

Accepted 7 September 2019

A Simultaneous X-ray Diffraction-Differential Scanning Calorimetry Study into the Phase Transitions of Mefenamic Acid

The phase transitions of mefenamic acid (MA) have been studied by synchrotron X-ray powder diffraction combined with differential scanning calorimetry. A direct transition from form I to forms II and III was noted, with the possibility of a new and as yet unidentified form observed during heating.

Accepted 4 September 2019

MRPC: Missing Regions in Polypeptide Chains - A Knowledgebase

An interactive database has been created for identifying the missing regions in all the protein structures available in the Protein Data Bank (PDB).

Accepted 3 September 2019

Molecular dynamics simulation of organic crystals. Introducing the CLP-dyncry environment

A proof of concept is given for CLP-dyncry, a free Molecular Dynamics tool designed for the reliable simulation of organic molecules in condensed phase.

Accepted 2 September 2019

FXD-CSD-GUI: a graphical user interface for the X-ray diffraction based determination of crystallite size distributions FXD-CSD

A graphical interface to the Python module fxdcsd is described that analyses crystallite size distributions via Bragg intensities measured with two-dimensional detectors.

Accepted 30 August 2019

DatView: a graphical user interface for visualizing and querying large data sets in serial femtosecond crystallography

DatView is a new graphical user interface for simplifying analysis by facilitating plotting parameters and exporting selections from large serial crystallography data sets.

Accepted 29 August 2019

Assessment of phase transition and thermal expansion coefficients by means of secondary multiple reflections of Renninger scans

Structural phase transitions have been evaluated and thermal expansion coefficients determined using Renninger scan patterns. The findings were determined by choosing the primary and secondary reflections adequately, and by monitoring the secondary peak positions in X-ray multiple diffraction patterns.

Accepted 28 August 2019

Electron backscatter diffraction study of variant selection during ordering phase transformation in L10-type red gold alloy

Variant selection occurring in red gold under stress during the A1 → L10 transformation is analysed with the electron backscatter diffraction technique, modelled using distortion matrices and quantified with the maximal work criterion.

more ...
Journal logoJournal of Synchrotron Radiation Journal of
Synchrotron Radiation

Accepted 12 September 2019

Upgrade of laser pump time-resolved X-ray probes in Beijing synchrotron

Adequate TR-XAS signal in a 0.3mM solution was acquired after laser pump/X-ray probe upgrades. Implementation of simultaneous measurement of both TR-XRD and TR-XAS in a SrCoO2.5 thin film.

Accepted 4 September 2019

Investigation of micrometeoritic materials at the new hard X-ray imaging PUMA beamline for heritage sciences

The PUMA (Photons Utilisés pour les Matériaux Anciens) beamline is made available to scientific communities studying materials from cultural heritage. A detailed analytical characterization of this beamline as an analytical and imaging tool is demonstrated using the Seymchan pallasite meteorite and an Antarctic unmelted micrometeorite as case studies.

Accepted 3 September 2019

X-ray mirror figure correction by differential deposition and off-line metrology

The surface figure of an X-ray mirror was corrected by differential deposition and measured by off-line metrology.

Accepted 27 August 2019

Gold nano-mesh synthesis by continuous-flow X-ray irradiation

Synchrotron X-ray irradiation on continuous-flow aqueous precursors produced conducting Au nano-meshes suitable for transparent and flexible electrodes for optoelectronics.

Accepted 11 August 2019

Determination of X-ray pulse duration via intensity correlation measurements of X-ray fluorescence

A new method using intensity correlation of X-ray fluorescence is proposed and demonstrated for temporal diagnostics of femtosecond and attosecond X-ray free-electron laser pulses.

Accepted 9 August 2019

Performance of nearly fixed offset asymmetric channel-cut crystals for X-ray monochromators

A novel, asymmetrically cut, channel-cut crystal was designed and manufactured with the aim to significantly reduce the beam offset change during energy scans. The improvement was verified with synchrotron radiation from an undulator source. The importance of even small, generally so far neglected, asymmetries is pointed out for high-accuracy monochromators.

Accepted 5 August 2019

An enlightening procedure to explain the extreme power of synchrotron radiation


Accepted 1 August 2019

Phase-space matching between bent Laue and flat Bragg crystals

Conditions for phase-space matching between a bent Laue crystal and a flat Bragg crystal, and between a double-bent Laue monochromator and a flat Bragg crystal, are derived. The concept of phase-space manipulation via a bent Laue crystal is introduced and applied to practical examples of phase-contrast X-ray imaging.
Journal logoIUCrData
IUCrData

Accepted 16 September 2019

(E)-1-(2-Hy­droxy-6-meth­oxy­phen­yl)-3-(2-meth­oxy­naphthalen-1-yl)prop-2-en-1-one

The synthesis, mol­ecular and crystal structure of a biologically important pharmacophore containing chalcone is reported

Accepted 11 September 2019

1,1′,3,3′-Tetra­mesitylquinobis(imidazole)-2,2′-di­thione

The title compound, 1,1′,3,3′-tetra­mesitylquinobis(imidazole)-2,2′-di­thione [+solvent], crystallizes in the cubic space group Im\overline{3}. The crystal structure exhibits large cavities of 193 Å3 accounting for 7.3% of the total unit-cell volume.


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