1,3,7,10,14,17,21,28,31,42,52,55-Dodeca­kis(trifluoro­meth­yl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodeca­hydro­(C₆₀-I_h)[5,6]fullerene

Author(s)

Natalia B. Shustova Prof. Dr., University of South CarolinaFollow
O.P. Anderson
O. V. Boltalina
S. H. Strauss
I. E. Kareev

Document Type

Article

Abstract

The title compound, C₇₂F₃₆, is one of four isomers of C₆₀(CF₃)₁₂ for which crystal structures have been obtained. The fullerene mol­ecule has an idealized I_h C₆₀ core with the 12 CF₃ groups arranged in an asymmetric fashion on two ribbons of edge-sharing C₆(CF₃)₂ hexa­gons, a para–meta–para–para–para–meta–para ribbon and a para–meta–para ribbon, giving an overall pmp ³ mp,pmp structure. There are no cage Csp ³—Csp ³ bonds. The F atoms of two CF₃ groups are disordered over two positions; the site occupancy factors are 0.85/0.15 and 0.73/0.27. There are intra­molecular F⋯F contacts between pairs of CF₃ groups on the same hexa­gon that range from 2.521 (3) to 2.738 (4) Å.

Digital Object Identifier (DOI)

https://doi.org/10.1107/S1600536807063647

Publication Info

Published in Acta Crystallographica Section E: Crystallographic Communications, Volume 64, Issue PT1, 2007.

Rights

©2008 International Union of Crystallography

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution and reproduction in any reproductions in any medium, provided the original authors and source are cited.

APA Citation

Shustova, N. B., Anderson, O. P., Boltalina, O. V., Strauss, S. H., & Kareev, I. E. (2007). 1,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(c60–Ih)[5,6]fullerene. Acta Crystallographica Section E Structure Reports Online, 64(1). https://doi.org/10.1107/s1600536807063647