Cahn-Ingold-Prelog descriptors of absolute configuration for carbon cages

Citation
A. Rassat et al., Cahn-Ingold-Prelog descriptors of absolute configuration for carbon cages, CHEM-EUR J, 7(18), 2001, pp. 3985-3991
Citations number
34
Categorie Soggetti
Chemistry
Journal title
CHEMISTRY-A EUROPEAN JOURNAL
ISSN journal
09476539 → ACNP
Volume
7
Issue
18
Year of publication
2001
Pages
3985 - 3991
Database
ISI
SICI code
0947-6539(20010917)7:18<3985:CDOACF>2.0.ZU;2-F
Abstract
A simplified procedure is described for assigning Cahn-Ingold-Prelog descri ptors to stereocentres in spheroalkanes (the CnHn molecules, with n even, b ased 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 C-28, C-76, C-78, C-84 and C-140, and for a number of spheroalkanes. Cases of breakdown of the simple procedure for triangle-ric h spheroalkane molecular graphs are discussed.