The crystal and molecular structure of the photodimer of biphenylene.

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概要

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• The molecular structure of the photodimer of biphenylene has been determined by X-ray crystal analysis. The crystals are triclinic, with eight molecules in a unit cell with dimensions of <I>a</I>=15.061, <I>b</I>=17.687, <I>c</I>=13.091 Å, α=108.91, β=98.52, and γ=89.71°; the space group is P\bar1. 6625 unique intensity data were collected on a four-circle diffractometer with LiF-monochromated Cu <I>K</I>α radiation. The structure was solved by the symbolic-addition method using 8 symbols, and refined by the block-diagonal least-squares method. The final <I>R</I> value was 0.101. The molecular structure thus obtained corresponds to <I>syn</I>-13,14 : 15,16-dibenzotricyclo[6.4.2.2<SUP>2,7</SUP>]hexadeca-1,3,5,7,9,11,13,15-octaene. Of the four crystallographically-independent molecules, two have approximately the C<SUB>2v</SUB> symmetry, while the remaining two are somewhat deformed, their symmetry being nearly C<SUB>2</SUB>. The molecules are held together mainly by van der Waals interactions.

• 公益社団法人 日本化学会の論文

著者

• Matsumoto Takeshi

  Department Of Biology Faculty Of Science Kumamoto University

• FURUSAKI Akio

  Department of Chemistry, Faculty of Science, Hokkaido University

• Nishida Shinya

  Department of Chemistry, Faculty of Engineering Science, Osaka University

• Aotsuka Tomoji

  Department of Chemistry, Faculty of Science, Hokkaido University

• Hashiba Nobuhiro

  Department of Chemistry, Faculty of Science, Hokkaido University

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