Document Type



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 parametaparaparaparametapara ribbon and a parametapara 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)

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).