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Crystal structure of protogenkwanin, C16H14O6

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Abstract

The crystal structure of protogenkwanin, C16H14O6, has been determined by single-crystal diffraction methods. The compound crystallizes in the monoclinic space groupP21/c witha=6.804(4),b=7.457(3),c=26.234(3)Å,β=95.66(2)° andZ=4. A total of 3275 unique reflection intensities were recorded on a Rigaku AFC6R diffractometer (MoKα radiation) at room temperature. The structure was solved by direct methods and electron density calculations. Full-matrix least-squares refinement gaveR=0.058 for 1257 observed [I>3σ(I)] reflections. Thecrystal structure confirms results from earlier studies on protogenkwanin and elucidates the steric orientation of the hydroxyl substituents of the cyclohexadiene ring: the hydroxyl groups aretrans orientated.

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Authors and Affiliations

  1. Department of Inorganic Chemistry, Chalmers University of Technology and University of Göteborg, S-412 96, Göteborg, Sweden

    Rolf Stomberg

  2. Department of Organic Chemistry, Chalmers University of Technology and University of Göteborg, S-412 96, Göteborg, Sweden

    Knut Lundquist

  3. Laboratoire de Biochimie Végétale, Université Claude Bernard (Lyon I), F. 69622, Villeurbanne Cedex, France

    Marcelle Hauteville

  4. Institut für Chemie, Universitát Hohenheim, D-7000, Stuttgart 70, West Germany

    Hans Geiger

Authors
  1. Rolf Stomberg
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  2. Knut Lundquist
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  3. Marcelle Hauteville
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  4. Hans Geiger
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Stomberg, R., Lundquist, K., Hauteville, M. et al. Crystal structure of protogenkwanin, C16H14O6 . Journal of Crystallographic and Spectroscopic Research 21, 183–188 (1991). https://doi.org/10.1007/BF01161062

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  • DOI: https://doi.org/10.1007/BF01161062

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