Conformation of condensed polycyclic aromatic hydrocarbons. I. The molecular and crystal structure of anthra(2,1,9,8-hijkl)-benzo(de)naphtho(2,1,8,7-stuv)pentacene.

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概要

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• The crystal structure of the title compound, C<SUB>38</SUB>H<SUB>18</SUB>, has been determined by X-ray analysis. The space group is Pa, with unit cell dimensions <I>a</I>=31.276(4), <I>b</I>=3.7818(4), <I>c</I>=21.663(3) Å, β=124.22(1)° and <I>Z</I>=4. The structure was solved by the direct method and refined by full-matrix least-squares methods to an <I>R</I> value of 0.073 for 2619 reflections. Two crystallographically independent molecules are largely distorted from a planar structure due to the repulsions between the crowded hydrogen atoms, with different conformations to each other. The molecules are stacked face-to-face by van der Waals forces to form column structures along the b axis.

• 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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