The Crystal and Molecular Structure of 5α-Cholestane-3,6-dione

The crystals of 5a-cholestane-3,6-dione (C27H44O2) are monoclinic, space group P2i with a= 1.9695(3), 6-0.7593(3), c = 0.8176(6) run, /?=92.78(3)°, V= 1.221(1) nm3 and Z=2. The structure was solved by the direct method and refined by the least squares technique to a conventional R = 0.097 for 2220 unique diffractometer observations. Ring D assumed an envelope shape. The side chain equatorially attached to C17 assumed open »zig-zag« conformation