Acta Cryst. (2007). E63, o3928-o3929  [ doi:10.1107/S1600536807040755 ]

1,4,7,11,18,21,24,31,35,39,51,58,61,64-Tetradecakis(trifluoromethyl)-1,4,7,11,18,21,24,31,35,39,51,58,61,64-tetradecahydro(C₇₀-D_5h)[5,6]fullerene p-xylene trisolvate

N. B. Shustova, D. V. Peryshkov, I. E. Kareev, O. V. Boltalina and S. H. Strauss

Abstract: The title compound, C₈₄F₄₂·3C₈H₁₀, features one of five isomers of C₇₀(CF₃)₁₄ that have been isolated. The fullerene molecule, which has crystallographic C₂ symmetry, consists of an idealized D_5h-C₇₀ core with the 14 CF₃ groups arranged in an asymmetric fashion on a para-para-para-para-para-para-para-meta-para (p⁷mp) ribbon and a para-meta-para (pmp) ribbon of edge-sharing C₆(CF₃)₂ hexagons such that the two ribbons connect to one another, forming two 1,3-C₅(CF₃)₂ pentagons. There are no cage Csp³-Csp³ bonds. There are intramolecular FF contacts between pairs of CF₃ groups on the same hexagon that range from 2.560 (3) to 2.876 (3) Å.

Online 1 September 2007

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