DASH: a program for crystal structure determination from powder diffraction data
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The Cambridge Structural Database in retrospect and prospect.4,4'-{Diazenediylbis[(1,4-phenylene)bis(carbonyloxy)]}bis(2,2,6,6-tetramethylpiperidinyloxidanyl): the first crystal structure determination from powder data of a nitroxide radical.Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D).The determination of crystal structures of active pharmaceutical ingredients from X-ray powder diffraction data: a brief, practical introduction, with fexofenadine hydrochloride as example.The challenging case of the theophylline-benzamide cocrystal.Ligand flexibility and framework rearrangement in a new family of porous metal-organic frameworks.A second polymorph of sodium di-hydrogen citrate, NaH2C6H5O7: structure solution from powder diffraction data and DFT comparison.In Situ Investigation of a Self-Accelerated Cocrystal Formation by Grinding Pyrazinamide with Oxalic Acid.Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.Crystal structure of penta-sodium hydrogen dicitrate from synchrotron X-ray powder diffraction data and DFT comparison.VARICELLA: a variable-cell direct space method for structure determination from powder diffraction data.Ruthenium-conjugated chrysin analogues modulate platelet activity, thrombus formation and haemostasis with enhanced efficacyCrystal engineering of lattice metrics of perhalometallate salts and MOFsStructure of the inclusion complex of β-cyclodextrin with lipoic acid from laboratory powder diffraction data.Combining aspects of the platinum anticancer drugs picoplatin and BBR3464 to synthesize a new family of sterically hindered dinuclear complexes; their synthesis, binding kinetics and cytotoxicity.The principles underlying the use of powder diffraction data in solving pharmaceutical crystal structures.Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-DHuman insulin polymorphism upon ligand binding and pH variation: the case of 4-ethylresorcinol.Crystal structure of Pigment Red 254 from X-ray powder diffraction data.Ca- and Sr-tetrafluoroisophthalates: mechanochemical synthesis, characterization, and ab initio structure determination.Non-volatile organic memory with sub-millimetre bending radius.The crystallisation of copper(ii) phenylphosphonates.Coxsackievirus B3 protease 3C: expression, purification, crystallization and preliminary structural insights.Crystal structures of eight mono-methyl alkanes (C26-C32) via single-crystal and powder diffraction and DFT-D optimization.Expanding the structural landscape of niclosamide: a high Z' polymorph, two new solvates and monohydrate H(A).Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.Vapochromic behaviour of M[Au(CN)2]2-based coordination polymers (M = Co, Ni).Crystalline-Amorphous-Crystalline Transformation in a Highly Brilliant Luminescent System with Trigonal-Planar Gold(I) Centers.Structural basis for the transformation pathways of the sodium naproxen anhydrate-hydrate system.Homoleptic platinum(II) and palladium(II) organothiolates and phenylselenolates: solvothermal synthesis, structural determination, optical properties, and single-source precursors for PdSe and PdS nanocrystals.Institutional profile: Crystal structure information in drug discovery and development: current perspectives and new possibilities from the Cambridge Crystallographic Data Centre.Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid.Nimustine hydrochloride: the first crystal structure determination of a 2-chloroethyl-N-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR.Inclusion chemistry of a thiazyl radical in zeolite-Y.Investigating the geometrical preferences of a flexible benzimidazolone-based linker in the synthesis of coordination polymers.New Insights into Solid Form Stability and Hydrate Formation: o-Phenanthroline HCl and Neocuproine HCl.Synthesis, structural characterization and scalable preparation of new amino-zinc borates.The Structure of Glycine Dihydrate: Implications for the Crystallization of Glycine from Solution and Its Structure in Outer Space.Synthesis of a labile sulfur-centred ligand, [S(H)C(PPh2S)2](-): structural diversity in lithium(i), zinc(ii) and nickel(ii) complexes.Carbon dioxide sensitivity of zeolitic imidazolate frameworks.
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DASH: a program for crystal structure determination from powder diffraction data
description
article
@en
im November 2006 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в листопаді 2006
@uk
name
DASH: a program for crystal structure determination from powder diffraction data
@en
DASH: a program for crystal structure determination from powder diffraction data
@nl
type
label
DASH: a program for crystal structure determination from powder diffraction data
@en
DASH: a program for crystal structure determination from powder diffraction data
@nl
prefLabel
DASH: a program for crystal structure determination from powder diffraction data
@en
DASH: a program for crystal structure determination from powder diffraction data
@nl
P2093
P50
P1476
DASH: a program for crystal structure determination from powder diffraction data
@en
P2093
Jason C. Cole
W. D. Samuel Motherwell
William I. F. David
P304
P356
10.1107/S0021889806042117
P577
2006-11-10T00:00:00Z