Open AccessTHE CRYSTAL STRUCTURE AND MOLECULAR ABSOLUTE CONFIGURATION OF KOUMINE HYDROBROMIDE
Author(s) -
RAO ZI-HE,
Zi Yi Wan,
Dongcai Liang
Publication year - 1982
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.31.547
Subject(s) - hydrobromide , orthorhombic crystal system , absolute configuration , molecule , crystal structure , crystal (programming language) , crystallography , fourier transform , hydrogen bond , matrix (chemical analysis) , chemistry , anisotropy , materials science , physics , stereochemistry , optics , organic chemistry , chromatography , quantum mechanics , computer science , programming language
The crystal structure of alkaloide, koumine Hydrobromide (C20H22N2O·HBr), has been solved by Patterson and Fourier methods and refined to an R value of 0.067 by full-matrix least-square method. The crystal belongs to orthorhombic system with the unit cell parameters: a = 14.307?, b = 12.053?, c = 9.862?; and four molecules are contained in the cell. The space group is P21 21 21. The positions of all hydrogen acoms have been found from a difference Fourier map calculated after the refinement of co-ordinates of all non-hydrogen atoms with anisotropic thermal parameters by least-squares method. The absolute configuration of the molecule has been established. The structural characteristics of the molecule were discussed.