The crystal structure of 13H-dibenz(a,de)anthracen-13-one.

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概要

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• Crystals of the title compound, C<SUB>21</SUB>H<SUB>12</SUB>O, are orthorhombic, belong to the space group Pn2<SUB>1</SUB>a, have lattice constants of <I>a</I>=14.227(3), <I>b</I>=15.551(4), <I>c</I>=12.436(3) Å, and also have <I>Z</I>=8. The structure was determined using the direct method and was refined by using a full-matrix least-squares method to an <I>R</I> value of 0.106 on the basis of 1964 reflections with |<I>F</I><SUB>o</SUB>|>3σ(|<I>F</I><SUB>o</SUB>|). The molecules is slightly distorted from the planar conformation owing to a steric repulsion between the O and H atoms. The molecules are stacked in pairs and two pairs with different overlapping modes are randomly arranged with different populations. It has been qualitatively explained that the populations of disordered molecules reflect the difference in their lattice energies.

• 公益社団法人 日本化学会の論文

著者

• Fujisawa Shoji

  Department Of Chemistry Faculty Of Science Toho University

• Ohashi Yuji

  Laboratory Of Animal Science Kyoto Prefectural University

• Sasada Yoshio

  Laboratory of Chemistry for Natural Products, Faculty of Science, Tokyo Institute of Technology

• Oonishi Isao

  Department of Applied Chemistry, Faculty of Engineering, Yamanashi University

• Aoki Junji

  Department of Chemistry, Faculty of Science, Toho University

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