Open AccessDETERMINATION OF CRYSTAL STRUCTURE OF CHLORO-TENACISS IGENIN
Author(s) -
QiTai Zheng,
Gu Yuan-Xin,
Lingling Wang,
Jinyi Liu
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.30.1393
Subject(s) - monoclinic crystal system , diffractometer , ring (chemistry) , molecule , crystallography , crystal structure , unit (ring theory) , crystal (programming language) , group (periodic table) , materials science , physics , chemistry , mathematics , quantum mechanics , computer science , mathematics education , organic chemistry , programming language
The molecular formula of chloro-tenaciss igenin is C23H33O5Cl. The crystal belongs to monoclinic system. The space group is C22P21. The parameters of unit cell are a=15.782(7)?, 6 = 8.454(4)?, c = 8.074(4)? and β= 101.08(21)°. There are two molecules in an unit cell (Z = 2). Intensity data were collected on a PW-1100 four-circle diffractometer. The total number of independent diffractions amounts to 2097.The structure was solved by direct method (MULTAN 78). The refinement of the structure parameters was acheived by block-matrix least-square method, R=0.075. All the positions of hydrogen atoms were located by the difference Fourier syntheses and two of them, which are in the methyls, present disorder property.The chloro-tenaciss igenin molecule contained the conformation characteristic of tenaciss igenin. B-ring and C-ring, and C-ring and D-ring all exhibit cisforms obviously.