Information card for entry 7102280

Structure parameters

• Formula: C74 F42
• Calculated formula: C74 F42
• SMILES: FC(F)(F)C12C3C4(C5=C1C1(c6c7C2=C2C8(C=3C3(C9=C4c4c%10C5(c5c1c1c6c6c%11c7C2(C2c7c8c3c3C8C9(c4c4c9c%10c5c5c1C1(C6=C6C%11(C=2C2(c7c3C3(C=8C4(c4c9c5c1c1C6(C2=C3c41)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)C(F)(F)F)C(F)(F)F
• Title of publication: New trifluoromethylated derivatives of [60]fullerene, C60(CF3)n with n = 12 and 14.
• Authors of publication: Omelyanyuk, Nadezhda A; Goryunkov, Alexey A; Tamm, Nadezhda B; Avdoshenko, Stanislav M; Ioffe, Ilya N; Sidorov, Lev N; Kemnitz, Erhard; Troyanov, Sergey I
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 45
• Pages of publication: 4794 - 4796
• a: 11.219 ± 0.0002 Å
• b: 13.882 ± 0.0002 Å
• c: 35.5411 ± 0.0005 Å
• α: 90°
• β: 90.544 ± 0.001°
• γ: 90°
• Cell volume: 5535 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.1517
• Weighted residual factors for significantly intense reflections: 0.3491
• Weighted residual factors for all reflections included in the refinement: 0.3577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.91 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No