Acta Cryst. (2006). E62, o620-o622  [ doi:10.1107/S1600536806000663 ]

1,4,10,14,19,25,35,41,49,60,66,69-Dodecakis(trifluoromethyl)- 1,4,10,14,19,25,35,41,49,60,66,69-dodecahydro(C₇₀-D_5h(6))[5,6]fullerene benzene disolvate

I. E. Kareev, S. F. Lebedkin, S. M. Miller, O. P. Anderson, S. H. Strauss and O. V. Boltalina

Abstract: The title compound, which crystallized with two molecules of benzene in the asymmetric unit, C₈₂F₃₆·2C₆H₆, is one of two isomers of C₇₀(CF₃)₁₂ that represent the first structurally characterized fullerene derivatives with exactly 12 substituents. This isomer consists of an idealized D_5h-C₇₀ core with the 12 CF₃ groups arranged on a para⁷-meta-para ribbon of edge-sharing C₆(CF₃)₂ hexagons plus an isolated C₆(CF₃)₂ hexagon. There are no cage Csp³-Csp³ bonds. As in the recently published structures of C_s-C₇₀(CF₃)₈ and C₁-C₇₀(CF₃)₁₀, there are numerous FF intramolecular contacts between pairs of neighboring CF₃ groups that range from 2.526 (5) to 2.930 (5) Å.

Online 18 January 2006

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