Bowl stacking in curved polynuclear aromatic hydrocarbons: crystal and molecular structure of cyclopentacorannulene
- 1 January 1994
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 22,p. 2571-2572
- https://doi.org/10.1039/c39940002571
Abstract
Cyclopentacorannulene (dibenzo[ghi,mno]cyclopenta[cd]fluoranthene) exhibits long-range concave–convex bowl stacking in the crystal; its molecular structure is satisfactorily described by ab initio calculations at both HF/3-21G and HF/6-31G* levels.Keywords
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