Cahn-Ingold-Prelog descriptors of absolute configuration for carbon cages.
A simplified procedure is described for assigning Cahn-Ingold-Prelog descriptors to stereocentres in spheroalkanes (the CnHn molecules, with n even, based on trivalent, polyhedral carbon frameworks, a class which subsumes the fulleranes). By extension, similar descriptors can be found for the atoms of fullerenes and related carbon-only molecules. Assignment maps are given for chiral fullerenes C28 C76, C78, C84 and C140, and for a number of spheroalkanes. Cases of breakdown of the simple procedure for triangle-rich spheroalkane molecular graphs are discussed.
Rassat
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A
UMR CNRS 8640, Département de Chimie, Ecole Normale Supérieure, Paris, France. andre.rassat@ens.fr
Fowler
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PW
de La Vaissière
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B