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X-ray and Density Functional Theory Structural Study of 1,3,5,7,9-Penta- tert -butylcorannulene, C 40 H 50

✍ Scribed by Sevryugina, Yulia; Rogachev, Andrey Yu.; Jackson, Edward A.; Scott, Lawrence T.; Petrukhina, Marina A.

Book ID: 126188038
Publisher: American Chemical Society
Year: 2006
Tongue: English
Weight: 115 KB
Volume: 71
Category: Article
ISSN: 0022-3263
DOI: 10.1021/jo060933z

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## Abstract The molecular structures of the title compounds 3 and 5 were investigated by NMR and X‐ray structural methods. The NMR results suggest two equivalent halves for both molecules. The X‐ray study shows an approximate mirror plane for 3 and an approximate twofold axis for a significant port