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Crystal structure of a newly oxidized aristolane sesquiterpenes, C 15 H 22 O 3 , from aristolochia debilis
Author(s) -
Farag I. S. Ahmed,
Kordy M. A. El,
Kirfel A.,
Will G.
Publication year - 1988
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.2170230604
Subject(s) - orthorhombic crystal system , crystallography , crystal structure , molecule , bond length , chemistry , crystal (programming language) , double bond , x ray crystallography , stereochemistry , diffraction , physics , polymer chemistry , organic chemistry , computer science , programming language , optics
M r = 250, orthorhombic, P 2 1 2 1 2 1 , a = 9.583(6), b = 11.786(8), c = 12.298(9) Å, V = 1389.0 Å 3 , Z = 4, D x = 1.20 g cm −3 , F(000) = 544, MoK α , λ = 0.71069 Å, μ = 0.88 cm −1 . Final R = 0.023 for 1006 observed reflections, T = 293 K. The structure was solved by direct methods and refined by full‐matrix least squares. It is an α, β unsaturated carbonyl compound with a trisubstituted double bonds. No significant variation in aromatic bond lengths. The strain affecting the molecule is largely due to angular deformation which is partly due to the fusion of the rings and partly due to substitution of H‐atoms by methyl groups and oxygen atoms.