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X-ray crystallographic determination of the structure and conformation of 7-(1-acetoxy-1-methylethyl)-4a-methyl-octahydro-2(3H)-naphthalenone

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Abstract

The crystal structure of 7-(1-acetoxy-1-methylethyl)-4a-methyl-octahydro-2(3H)-naphthalenone, C16H24O3 has been determined by X-ray diffraction. The crystals are orthorhombic, P212121,a=5.938(2),b=12.081(4),c=21.607(7) Å,Z=4. The structure was solved by direct methods, and refined to an R value of 0.062 for 1013 nonzero independent amplitudes. Ring A has the C(6)β distorted sofa conformation whereas the B ring possesses the slightly deformed chair conformation. The side chain in the C(10) position isα oriented in relation to the plane of the B ring.

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Authors and Affiliations

  1. Institute of Chemistry, University of Wroclaw, Poland

    T. Głowiak

  2. Institute of Organic and Physical Chemistry, Technical University of Wroclaw, W. Wyspiańskiego 27, 50-370, Wrocław, Poland

    C. Hebda & J. Szykuła

Authors
  1. T. Głowiak
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  2. C. Hebda
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  3. J. Szykuła
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Additional information

The nomenclature of IUPAC for the name of compound in the title is applied. However, for simplicity reason numbers of atoms in the paper follow Fig. 1.

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Głowiak, T., Hebda, C. & Szykuła, J. X-ray crystallographic determination of the structure and conformation of 7-(1-acetoxy-1-methylethyl)-4a-methyl-octahydro-2(3H)-naphthalenone. Journal of Crystallographic and Spectroscopic Research 19, 167–173 (1989). https://doi.org/10.1007/BF01160853

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  • DOI: https://doi.org/10.1007/BF01160853

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