Information card for entry 7100907

Structure parameters

• Formula: C82 F36
• Calculated formula: C82 F36
• SMILES: FC(F)(F)C12C3c4c5C6(c7c8C9(c5c5C%10(c%11c9c9c8c8c%12c7c7C(C=36)(c3c2c2c6c1c1c4c5C4(c5c%10c%10c%11c%11c9c9c8C8(c%12c%12c7c3c3c2c2c7c6c(c14)C1(c5c4c%10c5c%11C9(C6=C8C8=C%12C3(c2c2C8(C6=C5C4(c2c71)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: Preparation, crystallographic characterization and theoretical study of two isomers of C70(CF3)12
• Authors of publication: Sergey Troyanov; Stanislav M. Avdoshenko; Anton Dimitrov; Alexey A. Goryunkov; Daria V. Ignateva; Iiya N. Ioffe; Erhard Kemnitz; L. N. Sidorov; Nadezhda B. Tamm
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 14.532 ± 0.001 Å
• b: 21.131 ± 0.002 Å
• c: 18.11 ± 0.001 Å
• α: 90°
• β: 98.56 ± 0.01°
• γ: 90°
• Cell volume: 5499.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No