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The crystal and molecular structure ofexo-1,7-dichloro-8,8,9,9,10,10-hexafluoro-3,4-benzotricyclo[5.3.0.02,6]decene-3
Authors:Akinobu Kojima,Keiji Matsumoto,Shun&#x  Ichiro Ooi,Hiroshi Kimoto
Affiliation:Department of Chemistry, Faculty of Science, Osaka City University, Sumiyoshi-ku, Osaka 558 Japan;Government Industrial Research Institute, Nagoya; Hirate-machi, Kita-ku, Nagoya 462 Japan
Abstract:
The crystal structure of the title molecule has been determined by single crystal X-ray diffraction method. The molecule crystallizes in the orthorhombic space group Pbca with unit-cell dimensions a = 21.872(8), b = 11.815(6), c = 10.785(6) Å, and Z = 8. The structure has been solved by MULTAN and refined by least-squares calculations to R = 7.62% for 2088 reflections measured by a diffractometer. The molecule has the exo configuration. The central cyclobutane ring is nearly planar. The two five-membered rings are of the envelope conformation. The dihedral angle between the cyclobutane ring and the terminal five-membered ring is 75.5° and that between the cyclobutane ring and the other five-membered ring is 62.2°.
Keywords:
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