X-ray and molecular mechanics studies on the crystal and molecular structure of the leucoacetate of ventilatone A |
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| Authors: | Heather J. Cowe Philip J. Cox R. Alan Howie |
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| Affiliation: | (1) School of Pharmacy, Robert Gordon's Institute of Technology, Schoolhill, AB9 1FR Aberdeen, Scotland;(2) Chemistry Department, University of Aberdeen, Meston Walk, AB9 2UE Old Aberdeen, Scotland |
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| Abstract: | Molecular details of the leucoacetate of ventilatone A have been obtained by X-ray crystallographic and molecular mechanics calculations. In the crystalline state (space group P1,Z=2) the two independent molecules of the asymmetric unit appear to be disordered as some unusual geometrical features are evident. As these two molecules are related by a pseudo center of symmetry details of space group assignment are presented. Evidence of bond order in the molecules is supported by previously published spectroscopic data. |
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