(4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-deca-hydro-phenanthrene-1,4-dione.
(4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-deca-hydro-phenanthrene-1,4-dione.
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DOI：
10.1107/s160053681104517x
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发表时间：
2011-12-01
期刊：
影响因子：
--
通讯作者：
Tiekink ER
中科院分区：
文献类型：
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作者：
Caracelli I;Zukerman-Schpector J;Machado AT;Brocksom TJ;Ferreira ML;Tiekink ER
在标题化合物C_（19）H_（26）O_2中，A环采用椅式构象，而B环和C环均采用扭曲的半椅式构象，两个环共有的季碳原子分别位于由其余5个碳原子定义的近似平面外0.577（3）和0.648（3）°（r.m.s. 偏差= 0.1386和0.1156 Ω）。 分子通过C-H-O相互作用组装在晶体中，其中包括两个羰基O原子，这导致沿着B轴排列的超顺磁性分子链。
In the title compound, C19H26O2, the A ring adopts a chair conformation, whereas the B and C rings both adopt distorted half-chair conformations with the quaternary C atom common to both rings lying 0.577 (3) and 0.648 (3) Å out of the approximate plane defined by the remaining five C atoms (r.m.s. deviations = 0.1386 and 0.1156 Å) for the B and C rings, respectively. Molecules are assembled in the crystal through C—H⋯O interactions involving both carbonyl O atoms, which lead to supramolecular chains aligned along the b axis.