Crystal and molecular structure of 3,8-di-t-butyl-5,6-diphenyl-1-thioxo-2,9-dithia-1-phosphabicyclo(4.3.0)nona-3,7-diene.

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概要

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• The crystal and molecular structures of the title compound were determined by means of X-ray diffraction. Crystal data: C<SUB>26</SUB>H<SUB>31</SUB>S<SUB>3</SUB>P, <I>M</I><SUB>r</SUB>=470.68, orthorhombic, <I>a</I>=17.116(4), <I>b</I>=19.798(4), <I>c</I>=14.898(3) Å, <I>V</I>=5048.4 Å<SUP>3</SUP> (21 °C), space group Pbca, <I>D</I><SUB>m</SUB>=1.23, <I>D</I><SUB>x</SUB>=1.239 g cm<SUP>−3</SUP>, <I>Z</I>=8, μ=3.58 cm<SUP>−1</SUP> (Mo <I>K</I>α). The structure was solved by the direct method and refined by the full-matrix least-squares method to <I>R</I>=0.083 for 3318 observed reflections. The bicyclo skeleton is so highly strained that abnormal bond distances [P–C of 1.895(5) and C–C of 1.594(6) Å] were observed. Conformation of six-membered ring is a boat-form.

• 公益社団法人 日本化学会の論文

著者

• Kozawa Kozo

  Department Of Industrial And Engineering Chemistry Faculty Of Science And Technology Science Univers

• Motoki Shinichi

  Department Of Chemistry Faculty Of Science Science University Of Tokyo

• Saito Takao

  Department Of Biochemistry And Surgery Oita Medical School

• Uchida Tokiko

  Department of Chemistry Faculty of Science The University of Tokyo

• KOZAWA Kozo

  Department of Industrial and Engineering Chemistry, Faculty of Science and Technology, Science University of Tokyo

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