Structure and absolute configuration of .ALPHA.-pompene. II. An X-ray analysis of the mono p-bromobenzoate of the diol derived from .ALPHA.-pompene.

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概要

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• The mono <I>p</I>-bromobenzoate of the diol derived from α-pompene has been studied by X-ray crystal structure analysis and determined to be 9-<I>p</I>-bromobenzoxy-8-hydroxy-1,2,6,8-tetramethyltricyclo[5.3.1.0<SUP>2,6</SUP>]undecane. The crystals are of the orthorhombic space group P2<SUB>1</SUB>2<SUB>1</SUB>2<SUB>1</SUB>, <I>a</I>=46.53(2), <I>b</I>=12.20(2), <I>c</I>=7.39(2) Å, <I>Z</I>=8, and hence there are two independent molecules per asymmetric unit. The structure was solved by the heavy-atom methods, and refined by block-diagonal least-squares calculations to a final <I>R</I> value of 0.103 for 2493 observed reflections. The structures of the two independent molecules in the asymmetric unit are quite similar. Both molecules contain a tricyclo[5.3.1.0<SUP>2,6</SUP>]undecane ring in which three fused rings (cyclohexane, cyclopentane, and cyclopentane) are present. The overall configuration of these three fused rings can be described as a "<I>cis</I>" type. The conformation of the cyclohexane ring is of a chair form, and the two cyclopentane rings exhibit envelope forms. Based on the anomalous X-ray dispersion effect of the bromine atoms, the absolute configuration of the title compound was also determined.

• 公益社団法人 日本化学会の論文

著者

• Kushi Yoshihiko

  Department Of Chemistry Graduate School Of Science Osaka University

• Nakayama Mitsuru

  Department Of Agricultural Chemistry College Of Agriculture University Of Osaka Prefecture

• Matsuo Akihiko

  Department Of Economics Kansai University

• Hayashi Shuichi

  Department Of Applied Chemistry. Faculty Of Engineering Toyama University

• Nozaki Hiroshi

  Department Of Biochemistry Faculty Of Science

• NOZAKI Hiroshi

  Department of Chemistry, Faculty of Science, Hiroshima University

• Kamijo Nagao

  Government Industrial Research In1stitute

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