Conformation of condensed polycyclic aromatic hydrocarbons. II. The molecular and crystal structure of violanthrene B (dibenzo(a, rst)naphtho(8,1,2-cde)pentaphene).

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概要

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• The title compound, C<SUB>34</SUB>H<SUB>18</SUB>, has been obtained by reducing violanthrone B, a byproduct in the synthesis of violanthrone. Its structure has been determined by on X-ray analysis. The space group is <I>P</I>2<SUB>1</SUB>/c, with unit-cell dimensions <I>a</I>=25.78(1), <I>b</I>=3.807(5), <I>c</I>=19.975(8) Å, β=96.55(3)°, and <I>Z</I>=4. The structure was solved by the direct method and refined by a block-diagonal least-squares method to an <I>R</I> value of 0.076 on the basis of 1242 independent reflections. The molecules are largely distorted from a planar structure owing to a steric repulsion between the intramolecular overcrowded hydrogen atoms. Also, they are stacked face-to-face to form a column structure along the <I>b</I>-axis.

• 公益社団法人 日本化学会の論文

著者

• OHASHI Yuji

  Department of Chemistry and Materials Science Tokyo Institute of Technology

• Fujisawa Shoji

  Department Of Chemistry Faculty Of Science Toho 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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