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Crystal and molecular structure of (E)‐21‐Methoxycarbonyl‐19‐nor‐pregna‐4,8(14),20‐trien‐3‐one
Author(s) -
Reck G.,
Schubert G.
Publication year - 1984
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.2170190815
Subject(s) - orthorhombic crystal system , crystal structure , crystallography , ring (chemistry) , chemistry , side chain , steroid , crystal (programming language) , group (periodic table) , molecule , diffraction , stereochemistry , physics , organic chemistry , optics , biochemistry , hormone , computer science , programming language , polymer
The crystal and molecular structure of the title compound has been determined by X‐ray diffraction techniques. It crystallizes in the orthorhombic space group P 2 1 2 1 2 1 with cell parameters a = 12.662 Å, b = 17.995 Å, c = 8.433 Å. The structure was solved by direct methods using MULTAN‐78 and refined by least‐squares calculations to the conventional R = 0.061. The ring conformations of the steroid skeleton and the 17β‐side chain conformation are discussed in detail.