(4R*,4aS*,4bS*,5R*,10aR*)-4-Hydroxy-4a,5-dimethyl-2-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthren-1-one

被引：0
作者：
Caracelli, Ignez [1 ]
Zukerman-Schpector, Julio [2 ]
Lousada Machado, Andre T. [2 ]
Brocksom, Timothy J.
Lucia Ferreira, M.
Tiekink, Edward R. T. [3 ]
机构：
[1] Univ Fed Sao Carlos, BioMat Dept Fis, BR-13565905 Sao Carlos, SP, Brazil
[2] Univ Fed Sao Carlos, Dept Quim, Lab Cristalog Estereodinam & Modelagem Mol, BR-13565905 Sao Carlos, SP, Brazil
[3] Univ Malaya, Dept Chem, Kuala Lumpur 50603, Malaysia
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
基金：
巴西圣保罗研究基金会;
关键词：
data-to-parameter ratio = 10.2; mean σ(C-C) = 0.005 Å; R factor = 0.037; single-crystal X-ray study; T = 290 K; wR factor = 0.122;
D O I：
10.1107/S1600536811048008
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title compound, C(19)H(28)O(2), the A ring adopts a chair conformation. Both the B and C rings adopt envelope conformations with the C atoms common to both rings and adjacent to the carbonyl and hydroxyl groups, respectively, lying 0.604 (3) and 0.634 (3) angstrom out of the mean planes defined by the remaining five C atoms of rings B and C, respectively (r.m.s. deviations = 0.0100 and 0.0157 angstrom, respectively). The formation of linear supramolecular C(7) chains along the a axis mediated by hydroxy-O-H center dot center dot center dot O(carbonyl) hydrogen bonds is the most prominent feature of the crystal packing.
引用
收藏
页码：O3338 / U1804
页数：12
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