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X-ray and molecular mechanics studies on the crystal and molecular structure of the leucoacetate of ventilatone A

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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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Authors and Affiliations

  1. School of Pharmacy, Robert Gordon's Institute of Technology, Schoolhill, AB9 1FR, Aberdeen, Scotland

    Heather J. Cowe & Philip J. Cox

  2. Chemistry Department, University of Aberdeen, Meston Walk, AB9 2UE, Old Aberdeen, Scotland

    R. Alan Howie

Authors
  1. Heather J. Cowe
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  2. Philip J. Cox
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  3. R. Alan Howie
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Cowe, H.J., Cox, P.J. & Howie, R.A. X-ray and molecular mechanics studies on the crystal and molecular structure of the leucoacetate of ventilatone A. Journal of Crystallographic and Spectroscopic Research 21, 327–332 (1991). https://doi.org/10.1007/BF01156085

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  • DOI: https://doi.org/10.1007/BF01156085

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