Lu Xiao, Tang Gu-Ping, Gu Jian-Ming, Hu Xiu-Rong
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 12;67(Pt 2):o360. doi: 10.1107/S1600536811000316.
IN THE CRYSTAL STRUCTURE OF THE TITLE COMPOUND [SYSTEMATIC NAME: 2-(4b-fluoro-5-hy-droxy-4a,6a,8,8-tetra-methyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodeca-hydro-7,9-dioxa-penta-leno[2,1-a]phenanthren-6b-yl)-2-oxoethyl acetate], C(26)H(33)FO(7), the mol-ecules are connected by inter-molecular O-H⋯O hydrogen bonds into an infinite supra-molecular chain along the b axis. The mol-ecular framework consists of five condensed rings, including three six-membered rings and two five-membered rings. The cyclo-hexa-2,5-dienone ring is nearly planar [maximum deviation = 0.013 (3) Å], while the cyclo-hexane rings adopt chair conformations. The two five-membered rings, viz. cyclo-pentane and 1,3-dioxolane, display envelope conformations.
在标题化合物[系统名称:2-(4b-氟-5-羟基-4a,6a,8,8-四甲基-2-氧代-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-十二氢-7,9-二氧杂戊搭烯并[2,1-a]菲-6b-基)-2-氧代乙酸乙酯],C(26)H(33)FO(7)的晶体结构中,分子通过分子间O-H⋯O氢键沿b轴连接成无限的超分子链。分子骨架由五个稠环组成,包括三个六元环和两个五元环。环己-2,5-二烯酮环几乎是平面的[最大偏差 = 0.013 (3) Å],而环己烷环采取椅式构象。两个五元环,即环戊烷和1,3-二氧戊环,呈现信封式构象。