The Crystal and Molecular Structure of 4,10b-Methano-8<I>H</I>-benzo[<I>ab</I>]cyclodecen-8-one

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概要

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• 4,10b-Methano-8<I>H</I>-benzo[<I>ab</I>]cyclodecen-8-one (C<SUB>14</SUB>H<SUB>10</SUB>O), a stable derivative of so-called 1,6-methano[10]annulene, forms reddish orange crystals of the space group Pbca, with eight molecules in a unit cell with dimensions of <I>a</I>=16.567, <I>b</I>=14.090, and <I>c</I>=8.418 Å. The structure was solved by the symbolic addition method and refined by the block-diagonal least-squares method. The final <I>R</I> factor was 0.080 for the 1386 independent observed reflections. The lengths of the peripheral bonds of the [10]annulene nucleus do not exhibit any apparent alternation. The peripheral eight atoms are approximately coplanar. The C–O distance (1.236 Å) is longer than those in quinones and tropones, and it is consistent with the large dipole moment and high basicity of the present molecule.

• 公益社団法人 日本化学会の論文

著者

• Sasada Yoshio

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

• Shimanouchi Hirotaka

  Laboratory of Chemistry for Natural Products, Tokyo Institute of Technology

• Yahashi Ryosuke

  Laboratory of Chemistry for Natural Products, Tokyo Institute of Technology

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