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Crystal and molecular structure of 2β,3α-di(ethoxycarbonyl)-2,3,4aα,6,7,8aα-hexahydro-p-dioxino[2,3-e]-p-dioxin (Didox), C12H18O8

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Abstract

Crystals of the title compound, C12H18O8, are orthorhombic:P212121,a = 7·260(5),b = 9·483(6),c = 20·199(6) Å,Z = 4. The structure has been solved from the Patterson synthesis, and refined to anR-factor of 8·4% by full-matrix least-squares methods. The 6-membered rings are each in thechair conformation and arecis-fused at the 4a, 8a ring-junction. The structure led to an explanation of an unusually large chemical shift in the nmr signal from one of the methylenic hydrogen atoms on C(7).

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References

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Author notes

  1. R. E. Ardrey

    Present address: Department of Chemistry, King's College, University of London, Strand, London, England

  2. M. J. Begley

    Present address: Department of Chemistry, The University, Nottingham, England

Authors and Affiliations

  1. Department of Chemical Physics, University of Surrey, Guildford, Surrey, England

    R. E. Ardrey, M. J. Begley, M. F. C. Ladd & D. C. Povey

Authors
  1. R. E. Ardrey
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  2. M. J. Begley
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  3. M. F. C. Ladd
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  4. D. C. Povey
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Ardrey, R.E., Begley, M.J., Ladd, M.F.C. et al. Crystal and molecular structure of 2β,3α-di(ethoxycarbonyl)-2,3,4aα,6,7,8aα-hexahydro-p-dioxino[2,3-e]-p-dioxin (Didox), C12H18O8 . Journal of Crystal and Molecular Structure 3, 171–178 (1973). https://doi.org/10.1007/BF01370544

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  • DOI: https://doi.org/10.1007/BF01370544

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