1,3,7,10,14,17,21,28,31,42,52,55-Dodeca-kis(trifluoro-meth-yl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodeca-hydro-(C(60)-I)[5,6]fullerene

Natalia B Shustova; Oren P Anderson; Olga V Boltalina; Steven H Strauss; Ivan E Kareev

doi:10.1107/S1600536807063647

1,3,7,10,14,17,21,28,31,42,52,55-Dodeca-kis(trifluoro-meth-yl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodeca-hydro-(C(60)-I)[5,6]fullerene

Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o159. doi: 10.1107/S1600536807063647.

Authors

Natalia B Shustova, Oren P Anderson, Olga V Boltalina, Steven H Strauss, Ivan E Kareev

Abstract

The title compound, C(72)F(36), is one of four isomers of C(60)(CF(3))(12) for which crystal structures have been obtained. The fullerene mol-ecule has an idealized I(h) C(60) core with the 12 CF(3) groups arranged in an asymmetric fashion on two ribbons of edge-sharing C(6)(CF(3))(2) hexa-gons, 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 CF(3) groups are disordered over two positions; the site occupancy factors are 0.85/0.15 and 0.73/0.27. There are intra-molecular F⋯F contacts between pairs of CF(3) groups on the same hexa-gon that range from 2.521 (3) to 2.738 (4) Å.