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Chopra, Deepak and Nagarajan, K. and Roberts, J. D. and Guru Row, T. N. (2007) trans-1,2-Difluoro-3,4,5,6,7,8-hexaphenyltricyclo[^(2,5)]octa-3,7-diene. Acta Crystallographica Section E: Structure Reports Online, 63 (12). Art. No. o4557. ISSN 1600-5368.

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In order to probe the possible mechanism of the rearrangement of trans-hexaphenyldifluorotricyclooctadiene (a dimer of fluorotriphenylcyclobutadiene) to pentaphenyldihydrodifluoropentalene via C-F bond migration, a high-temperature study of the title compound, C_(44)H_(30)F_2, was performed at 400 (2) K. In the title compound, there are three fused four-membered rings with the resulting eight-membered tricyclo¬octa¬diene ring adopting a sofa conformation. The dihedral angles between the central four-membered ring and the two outer rings are 66.03 (2) and 65.39 (2)°. The crystal structure contains centrosymmetric dimers formed by C-H… π inter¬actions.

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Additional Information:© 2007 International Union of Crystallography. Received 25 October 2007; accepted 30 October 2007. We thank the Department of Science and Technology, India, for data collection on the CCD facility set up under the IRHPA–DST program. DC thanks the Indian Institute of Science for a fellowship.
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Indian Institute of ScienceUNSPECIFIED
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Official Citation:Chopra, D., K. Nagarajan,, Roberts, J. D. & Guru Row, T. N. (2007). Acta Cryst. E63, o4557
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:70342
Deposited By: Tony Diaz
Deposited On:29 Sep 2016 23:30
Last Modified:29 Sep 2016 23:30

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