title: X-ray crystallographic proof of the isomer D2-C84(5) as trifluoromethylated and chlorinated derivatives, C84(CF3)16, C84Cl20, and C84Cl32.
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.
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026, PR China. sfyang@ustc.edu.cn
authors.forename: Shangfeng
authors.initials: S
authors.lastname: Yang
authors.forename: Chuanbao
authors.initials: C
authors.lastname: Chen
authors.forename: Tao
authors.initials: T
authors.lastname: Wei
authors.forename: Nadezhda B
authors.initials: NB
authors.lastname: Tamm
authors.forename: Erhard
authors.initials: E
authors.lastname: Kemnitz
authors.forename: Sergey I
authors.initials: SI
authors.lastname: Troyanov