X-ray diffraction study of K3NdSi7O17: a new framework silicate with a linear Si-O-Si bond [0.03%]
关于K3NdSi7O17的一种新的架状硅酸盐的X射线衍射研究含线式Si-O-Si键
S M Haile,B J Wuensch
S M Haile
Hydrothermal investigations in the high-silica region of the K(2)O-Nd(2)O(3)-SiO(2) system, carried out in a search for novel fast-ion conductors (FICs), yielded the new compound tripotassium neodymium heptasilicate, K(3)NdSi(7)O(17). Singl...
Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data [0.03%]
基于单晶同步辐射数据对脱水钙A型沸石框架无序度的修正
F Porcher,M Souhassou,H Graafsma et al.
F Porcher et al.
An accurate knowledge of zeolite structure is required for understanding their selective sorption capacities and their catalytic properties. In particular, the positions of the exchangeable cations and their interactions with the framework ...
J Hauck,K Mika
J Hauck
The crystal structures of ordered b.c.c. (body-centered cubic), f.c. c. (face-centered cubic) or primitive cubic alloys AxBy and related NaCl, ZnS or CaF(2) derivative structures are characterized by the self-coordination numbers T(1), T(2)...
D Watkin
D Watkin
The reporting of U(equiv) and its standard uncertainty has a chequered history. In spite of the recommendation of the IUCr Commission on Journals that authors use the definition of U(equiv) of their own choice, possibly without standard unc...
Single crystal structure and molecular dynamics analysis of a myo-inositol derivative [0.03%]
肌醇衍生物的单晶结构及分子动力学分析
J Dillen,M W Bredenkamp,M L Prinsloo
J Dillen
The crystal structure of 5-O-tert-butyldimethylsilyl-3,4-O-carbonyl-1,2-O-cyclohexylidene-2-oxo-3-oxa-4-bornanylcarbonyl-D-myo-inositol has been studied by single-crystal X-ray diffraction at both room temperature and 173 K. At room tempera...
Electron density and electrostatic properties of two peptide molecules: tyrosyl-glycyl-glycine monohydrate and glycyl-aspartic acid dihydrate [0.03%]
两个肽分子的电子密度和静电特性：钛酸亮氨glycyl-glycine单水合物和甘氨酸-aspartic酸二水合物
V Pichon-Pesme,H Lachekar,M Souhassou et al.
V Pichon-Pesme et al.
The electron density and electrostatic properties of Tyr-Gly-Gly and Gly-Asp molecules have been determined from high-resolution X-ray diffraction data at 123 K. Topological properties of the charge distribution are discussed and compared w...
Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid [0.03%]
具有不同立体异构体的2-氨基-3-甲基戊酸晶体中的结构关系
B Dalhus,C H Gorbitz
B Dalhus
A reinvestigation of the crystal structure of the 1:1 mixture of the two racemates DL-isoleucine and DL-allo-isoleucine, with a detailed analysis of interatomic distances between alternative side-chain positions, reveals a systematic distri...
Non-centrosymmetric racemates: space-group frequencies and conformational similarities between crystallographically independent molecules [0.03%]
非对称性外消旋体：空间群频率及晶体学独立分子间的构象相似性
B Dalhus,C H Görbitz
B Dalhus
DL-Allylglycine (DL-2-amino-4-pentenoic acid, C5H9NO2) yields crystals with Pca2(1) symmetry and two crystallographically independent yet pseudo-inversion-related enantiomers. The distribution among the common space groups of other crystall...
J P Lommerse,W D Motherwell,H L Ammon et al.
J P Lommerse et al.
A collaborative workshop was held in May 1999 at the Cambridge Crystallographic Data Centre to test how well currently available methods of crystal structure prediction perform when given only the atomic connectivity for an organic compound...
X-ray studies on crystalline complexes involving amino acids and peptides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with L-histidine and L-lysine [0.03%]
氨基酸和肽结晶复合物的X射线研究。第三十五部分：马来酸与L-组氨酸和L-赖氨酸复合物中氨基酸聚集体的一致性和可变性
J V Pratap,R Ravishankar,M Vijayan
J V Pratap
The crystal structures of complexes of maleic acid with L-histidine and L-lysine have been determined. The two crystallographically independent amino acid molecules in the L-histidine complex have different closed conformations, while the l...