The crystal and molecular structure of tetracyclo[6.4.3.0.02,7]pentadec-4-en-13-one.

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概要

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• The X-ray molecular structure of the photocycloadduct of bicyclo[4.3.0]non-1(6)-en-7-one with 1,4-cyclohexadiene has been determined. The crystals belong to the monoclinic system, space group P2<SUB>1</SUB>/c, <I>Z</I>=4, <I>a</I>=8.108(1), <I>b</I>=8.836(1), <I>c</I>=7.095(1) Å, and β=95.38(1)° at 22 °C; <I>a</I>=7.975(1), <I>b</I>=8.760(1), <I>c</I>=16.949(2) Å, and β=94.85(1)° at −160 °C. The structure was solved by the direct method and refined by the least-squares procedure to <I>R</I>=0.052 (22 °C) and 0.053 (−160 °C) for 1777 and 2349 non-zero reflections respectively. The ring junction between the four- and six-membered rings is <I>trans</I>. The molecule has the <I>cis</I>-<I>anti</I>-<I>trans</I> structure. No essential difference is observed between the molecular structure at 22 °C and −160 °C except for the thermal motions.

• 公益社団法人 日本化学会の論文

著者

• Kai Yasushi

  Department Of Applied Chemistry Faculty Of Engineering Osaka University

• Kasai Nobutami

  Department Of Applied Biological Science Tokyo University Of Science

• Yasuoka Noritake

  Department Of Life Science Faculty Of Science Himeji Institute Of Technology

• Koshibe Shigeru

  Department of Applied Chemistry, Faculty of Engineering, Osaka University

• Yasuoka Noritake

  Department of Applied Chemistry, Faculty of Engineering, Osaka University

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