X-ray crystallographic proof of the isomer D2-C84(5) as trifluoromethylated and chlorinated derivatives, C84(CF3)16, C84Cl20, and C84Cl32.

Authors :: Yang S
Chen C
Wei T
Tamm NB
Kemnitz E
Troyanov SI
Source :: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2012 Feb 20; Vol. 18 (8), pp. 2217-20. Date of Electronic Publication: 2012 Jan 26.
Publication Year :: 2012
Abstract: Minor isomer comes forward: Minor isomer C(84)(5) has been captured by high temperature trifluoromethylation with CF(3)I and chlorination with VCl(4). The compounds C(84)(CF(3))(16), C(84)Cl(20), and C(84)(5)Cl(32) were investigated by X-ray crystallography providing the first direct proof of the cage connectivity of D(2)-C(84)(5). The D(2)-C(84)(5)Cl(32) molecule (see figure; C grey, Cl green) contains two flattened, pyrene-like substructures on opposite poles of the cage resulting in its drum-like shape.<br /> (Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

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