Open AccessSTUDIES ON THE STRUCTURE OF BROMO-QINGHAOSU
Author(s) -
Shude Zhang,
Jiping Zhang,
Wu Bo-Mu,
Yao Jia-Xing,
Lin Xio-Yun
Publication year - 1981
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.30.976
Subject(s) - monoclinic crystal system , isotropy , anisotropy , bromine , crystal (programming language) , intensity (physics) , crystal structure , ambiguity , space (punctuation) , materials science , molecule , crystallography , scattering , physics , atomic physics , molecular physics , optics , chemistry , quantum mechanics , computer science , programming language , metallurgy , operating system
The bromo-Qinghaosu (C17H27O5Br) crystal belongs to the monoclinic system, space group is P21, with a = 10.341?, 6 = 9.160?, c = 9.353?, β = 90°, Z = 2. The intensity data were collected on the Philips PW-1100 diffraetometer. Initial positional parameters (for double solution) were determined by a Patterson method. There are two heavy atoms bromine in the unit cell, it is centrosymmetric, that raises the problem of ambiguity. We have obtained a set of unique solution by means of chemical knowledge and direet method, respectively. Absolute configuration of molecule was determined by anomalous scattering method. Atoms coordinate parameters, ratio factor, isotropic and anisotropic temperature factors were refined by full-matrix least square method.