3β,5-Dihydroxy-15β,16β-methylene-5β-androst-6-en-17-one

Wei Zhou, Guang-Xiang Zhong, Wei-Xiao Hu, Chun-Nian Xia
2007 Acta Crystallographica Section E  
Key indicators: single-crystal X-ray study; T = 296 K; mean (C-C) = 0.003 Å; R factor = 0.039; wR factor = 0.110; data-to-parameter ratio = 8.7. In the title molecule, C 20 H 28 O 3 , ring A has a regular chair conformation, while ring C has a slightly distorted chair conformation. Ring B shows an asymmetric half-chair conformation and ring D is in an envelope conformation. Rings A and B are cis-fused, while rings B and C and rings C and D are trans-fused. In the crystal structure,
more » ... cture, intermolecular O-HÁ Á ÁO hydrogen bonds link the molecules into a ribbon along the b axis. Related literature For related literature, see: Bittler et al. (1984); Muhn et al. Experimental Crystal data C 20 H 28 O 3 M r = 316.42 Monoclinic, P2 1 a = 6.5158 (9) Å b = 20.592 (3) Å c = 6.5877 (9) Å = 107.837 (2) V = 841.4 (2) Å 3 Z = 2 Mo K radiation = 0.08 mm À1 T = 296 (2) K 0.30 Â 0.20 Â 0.20 mm Data collection Bruker APEXII CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1997) T min = 0.976, T max = 0.984 5279 measured reflections 1884 independent reflections 1739 reflections with I > 2(I) R int = 0.021
doi:10.1107/s1600536807057315 fatcat:pkcfylfsnfasvnwwycdvgx3lvi