M Eisenstein
M Eisenstein
X-ray diffraction intensities for cytosine monohydrate have been measured at 97 K, to 2sin theta/lambda = 2.74 A-1, and used in a deformation refinement. Crystal data for cytosine monohydrate at 97 K: a = 7.728 (1), b = 9.817 (3), c = 7.520...
Structural studies of analgesics and their interactions. XII. Structure and interactions of anti-inflammatory fenamates. A concerted crystallographic and theoretical conformational study [0.03%]
镇痛药的结构研究及其相互作用。第12部分：抗炎奋乃酸盐的结构和相互作用。一项协作式的晶体学和理论构象研究
V Dhanaraj,M Vijayan
V Dhanaraj
A theoretical conformational analysis of fenamates, which are N-arylated derivatives of anthranilic acid or 2-aminonicotinic acid with different substituents on the aryl (phenyl) group, is reported. The analysis of these analgesics, which a...
New analysis of the neutron diffraction data for anhydrous orthophosphoric acid and the structure of H3PO4 molecules in crystals [0.03%]
无水正磷酸的中子衍射数据的新分析及其晶体中H3PO4分子的结构
R H Blessing
R H Blessing
Two neutron data sets, which had been analyzed separately to determine the H-atom positions in H3PO4 crystals [Cole (1966). PhD Thesis, Univ. of Washington, Pullman, USA], have been re-analyzed in a joint refinement, fitting separate scale ...
Structure and molecular orbital study of ergoline derivatives. 1-(6-Methyl-8 beta-ergolinylmethyl)imidazolidine-2,4-dione (I) and 2-(10-methoxy-1,6-dimethyl-8 beta-ergolinyl)ethyl 3,5-dimethyl-1H-2-pyrrolecarboxylate toluene hemisolvate (II) and comparison with nicergoline (III) [0.03%]
厄洛林衍生物的结构和分子轨道研究：(I)6-甲基-8β-吲哚烷基亚胺基二酮、(II)1,6-二甲基-10-甲氧基-8β-厄罗林基乙基3,5-二甲基-1H-2-恶唑羧酸酯及托伦半溶剂和与尼莫卡林(Nicergoline，III)的比较
E Foresti,P Sabatino,L Riva di Sanseverino et al.
E Foresti et al.
(I): C19H22N4O2 (Registry No. 95688-34-9), m.p. greater than 573 K, Mr = 338.4, orthorhombic, P2(1)2(1)2(1), a = 8.392 (2), b = 13.004 (2), c = 15.676 (5) A, V = 1710.7 (7) A3, Z = 4, Dx = 1.31 Mg m-3, Mo Ka radiation, lambda = 0.71069 A, m...
Thermal vibrations and electrostatic properties of parabanic acid at 123 and 298 K [0.03%]
123K和298K下para-巴尼酸的热振动及静电学性质
X M He,S Swaminathan,B M Craven et al.
X M He et al.
The crystal structure of parabanic acid (1H,3H-imidazoletrione, C3H2N2O3, Mr = 114.1) at 123 K [monoclinic, P2(1)/n, Z = 4, a = 10.704 (2), b = 8.187 (2), c = 4.969 (1) A, beta = 92.32 (1)o] has been determined by neutron and X-ray diffract...
A model for the hydrogen-bond-length probability distributions in the crystal structures of small-molecule components of the nucleic acids [0.03%]
核酸小分子组分晶体结构中氢键长度概率分布的经验模型研究
B Lesyng,G A Jeffrey,H Maluszynska
B Lesyng
The probability distributions of the N-H...O = C and O-H...O = C hydrogen-bond lengths observed in the crystal structures of the purines, pyrimidines, nucleosides and nucleotides have been fitted to a one-dimensional hydrogen-bond potential...
S L Edwards,C Nielsen,N H Xuong
S L Edwards
A method is presented in which the features of a Buerger-type mechanical precession camera can be simulated using an electronic area detector and a three-circle automated goniostat. The resulting display as viewed on a video monitor is very...
The use of pseudosymmetry in the rotation function of gamma IVa-crystallin [0.03%]
伪对称性在γⅣa-结晶蛋白旋转函数中的应用研究
H E White,H P Driessen,C Slingsby et al.
H E White et al.
Bovine lens gamma IVa-crystallin crystallizes in space group C222(1) with cell dimensions a = 35.1, b = 46.2, c = 186.2 A, and contains one molecule in the asymmetric unit. The structure was determined at 3.0 A resolution using cross-rotati...
Synchrotron X-ray data collection and restrained least-squares refinement of the crystal structure of proteinase K at 1.5 A resolution [0.03%]
蛋白酶K的同步辐射X射线衍射数据收集及其结构在1.5埃分辨率上的限制最小二乘法修正
C Betzel,G P Pal,W Saenger
C Betzel
The structure of the serine endopeptidase proteinase K (279 amino acid residues; 28,790 daltons) has been refined by restrained least-squares methods to a conventional R value of 16.7% employing synchrotron film data of 30,812 reflections g...
More space-group changes [0.03%]
更多的空间群变化
R E Marsh,F H Herbstein
R E Marsh
Revised structures are reported for 19 crystalline compounds, based on space groups of higher symmetry than originally reported. In four cases the Laue symmetry is changed, one from 1 to 2/m and three from 2/m to mmm; in the remaining fifte...