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Crystal and molecular structure of (21R)‐3β‐acetoxy‐14,21‐epoxy‐5β,14β‐card‐20(22)‐enolide
Author(s) -
Pfeiffer D.,
Reck G.,
Lindig C.,
Leibnitz P.
Publication year - 1985
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.2170200213
Subject(s) - monoclinic crystal system , van der waals force , crystal structure , crystallography , chemistry , intermolecular force , ring (chemistry) , epoxy , bond length , crystal (programming language) , molecule , stereochemistry , organic chemistry , programming language , computer science
The title compound (21R)‐3β‐acetoxy‐14,21‐epoxy‐5β,14β‐card‐20(22)‐enolide crystallizes in the monoclinic space group P2 1 with 2 formular units C 25 H 34 O 5 in the unit cell. The lattice parameters are a = 13.471, b = 7.959, c = 10.514 Å and β = 102.73°. The crystal structure was determined by direct methods and refined by least‐squares procedures to the discrepancy factor R = 0.045. Bond length, bond angles, ring conformations and the configuration at C(21) were determined. Intermolecular interactions are only of van der Waals type.