Results 41 to 50 of about 622,957 (315)

Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes

Acta Crystallographica Section E: Crystallographic Communications, 2019
The syntheses and crystal structures of three cyclotriphosphazenes, all with fluorinated aryloxy side groups that generate different steric characteristics, viz.
Hemant P. Yennawar, Andrew R. Hess, Harry R. Allcock   +2 more
doaj   +1 more source

Neural structure fields with application to crystal structure autoencoders

Communications Materials, 2023
Representing crystal structures of materials to facilitate determining them via neural networks is crucial for enabling machine-learning applications involving crystal structure estimation.
Naoya Chiba, Yuta Suzuki, Tatsunori Taniai, Ryo Igarashi, Yoshitaka Ushiku, Kotaro Saito, Kanta Ono   +6 more
doaj   +1 more source

What makes a crystal structure report valid?

, 2018
Single crystal X-ray crystallography has developed into a unique, highly automated and accessible tool to obtain detailed information on molecular structures.
Sub Crystal and Structural Chemistry, Crystal and Structural Chemistry, Spek, Anthony L.   +2 more
core   +1 more source

Crystal structure of azimsulfuron [PDF]

Acta Crystallographica Section E Crystallographic Communications, 2015
The title compound {systematic name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2H-tetrazol-5-yl)pyrazol-5-ylsulfonyl]urea}, C13H16N10O5S, is a sulfonylurea herbicide. In this compound, the dihedral angles between the planes of the central pyrazole and the terminal dimethoxypyrimidine and tetrazole rings are 79.10 (8) and 17.21 (16 ...
Youngeun Jeon, Jineun Kim, Eunjin Kwon, Tae Ho Kim   +3 more
openaire   +3 more sources

The crystal structure of baeocystin

Acta Crystallographica Section E Crystallographic Communications, 2022
The title compound, baeocystin or 4-phosphoryloxy-N-methyltryptamine {systematic name: 3-[2-(methylazaniumyl)ethyl]-1H-indol-4-yl hydrogen phosphate}, C11H15N2O4P, has a single zwitterionic molecule in the asymmetric unit. The molecule has an intramolecular N—H...O hydrogen bond between the ammonium cation and the hydrophosphate anion.
Marilyn Naeem, Alexander M. Sherwood, Andrew R. Chadeayne, James A. Golen, David R. Manke   +4 more
openaire   +2 more sources

Crystal structure of pencycuron [PDF]

Acta Crystallographica Section E Crystallographic Communications, 2015
In the title compound [systematic name: 1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea], C19H21ClN2O, which is a urea fungicide, the cyclopentyl ring adopts an envelope conformation, with one of the methylene C atoms adjacent to the C atom bonding to the N atom as the flap. The dihedral angles between the mean planes of the central cyclopentyl ring (all
Gihaeng Kang, Jineun Kim, Eunjin Kwon, Tae Ho Kim   +3 more
openaire   +3 more sources

Crystal Structure of ‘Gammexane' [PDF]

Nature, 1948
THE crystal structure of γ-benzenehexachloride, the insecticide ‘Gammexane', has been determined by X-ray analysis (Weissenberg diagram) in the usual way of trial and error, starting from Patterson data and supported by repeated Fourier syntheses. Cell dimensions: a = 8·5 A.; b = 10·3 A.; c = 13·9 A. ; β = 121°.
G. W. VAN VLOTEN, CH. A. KRUISSINK, B. STRIJK, J. M. BIJVOET   +3 more
openaire   +2 more sources

The crystal structure of cyclin A [PDF]

Structure, 1995
Eukaryotic cell cycle progression is regulated by cyclin dependent protein kinases (CDKs) whose activity is regulated by association with cyclins and by reversible phosphorylation. Cyclins also determine the subcellular location and substrate specificity of CDKs.
Brown NR, Noble MEM, Endicott JA, Garman EF, Wakatsuki S, Mitchell E, Rasmussen B, Hunt T, Johnson LN   +8 more
openaire   +3 more sources

Crystal structure of dimethomorph [PDF]

Acta Crystallographica Section E Crystallographic Communications, 2015
In the title compound, C21H22ClNO4[systematic name: (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one], which is the morpholine fungicide dimethomorph, the dihedral angles between the mean planes of the central chlorophenyl and the terminal benzene and morpholine (r.m.s. deviation = 0.2233 Å) rings are 71.74 (6) and 63.65 
Gihaeng Kang, Jineun Kim, Eunjin Kwon, Tae Ho Kim   +3 more
openaire   +3 more sources

The planar cell polarity protein Vangl2 interacts with the PDZ‐domains of Scribble but not with a unique PDZ‐like domain in Inturned

FEBS Letters, EarlyView.
Structural and biochemical characterisations show that the planar cell polarity (PCP) protein Inturned harbours a unique PDZ‐like domain that does not bind canonical PDZ‐binding motifs (PBMs) like that of another PCP protein Vangl2. In contrast, the apical‐basal polarity protein Scribble contains four PDZ domains that bind Vangl2, but one PDZ domain ...
Stephan Wilmes, Jan Brysch, Carmen Gelze, Lilli Meier, Daniel Kümmel   +4 more
wiley   +1 more source