Welcome to the new version of CaltechAUTHORS. Login is currently restricted to library staff. If you notice any issues, please email coda@library.caltech.edu
Published December 2007 | Supplemental Material + Published
Journal Article Open

trans-1,2-Difluoro-3,4,5,6,7,8-hexaphenyltricyclo[4.2.0.0^(2,5)]octa-3,7-diene

Abstract

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.

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.

Attached Files

Published - sj2394.pdf

Supplemental Material - sendsupfiles.txt

Supplemental Material - sj2394.cif

Files

sj2394.pdf
Files (730.7 kB)
Name Size Download all
md5:2382f40867684256cfdff289075ca5b7
427.0 kB Preview Download
md5:5347104baafe9c312ced57b9297610c5
29.5 kB Download
md5:4086650dd8da74e7742368ffcfd64321
274.2 kB Preview Download

Additional details

Created:
August 19, 2023
Modified:
October 20, 2023