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