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Crystal and molecular structure of (20R)‐19‐nor‐5β,14β‐pregnane‐3β,14,20‐triol 3,20‐diacetate
Author(s) -
Pfeiffer D.,
Weiland J.,
Leibnitz P.
Publication year - 1987
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170220318
Subject(s) - monoclinic crystal system , chemistry , hydrogen bond , molecule , crystal structure , triol , crystallography , crystal (programming language) , pregnane , stereochemistry , organic chemistry , diol , computer science , programming language
The title compound (20R)‐19‐nor‐5β,14β‐pregnane‐3β,14,20‐triol 3,20‐diacetate crystallizes in the monoclinic space group P2 1 with 4 formula units C 24 H 38 O 5 in the unit cell. The lattice parameters are a = 14.324, b = 12.569, c = 12.685 Å, β = 90.21°. The crystal structure was determined by direct methods and refined by the least‐squares procedure to the discrepancy factor R = 0.042. Bond length, bond angles, ring conformations, as well as the absolute configuration at C20 were determined. In the crystal the molecules are linked to infinite chains by two hydrogen bonds.