1.
Angew Chem Int Ed Engl
; 52(28): 7314-6, 2013 Jul 08.
Article
in English
| MEDLINE
| ID: mdl-23754738
2.
Org Biomol Chem
; 10(11): 2218-22, 2012 Mar 21.
Article
in English
| MEDLINE
| ID: mdl-22331198
ABSTRACT
The experimental electron density of sumanene, C(21)H(12), was extracted from a high resolution X-ray data set measured at 100 K and topologically analyzed. In addition to bond topological and atomic properties, information about the density distribution between adjacent molecules, which show close C···C approaches of ~3.4 Å within the columnar π-stacks in the crystal lattice, are discussed. A comparison is made with the electron density of the related corannulene molecule based also on the analysis of Electron Localizability Indicator (ELI-D) calculations.