Information card for entry 7102281

Structure parameters

• Formula: C74 F42
• Calculated formula: C74 F42
• SMILES: [C@@]12(C3[C@@]4(C5=C1[C@@]1(C6[C@@]7(C2=C2[C@@]8(C=3[C@@]3(C9=C4c4c%10[C@]5(c5c1c1C=6[C@@]6(c%11c7c2c2c7c8c3c3C8[C@]9(c4c4c9c%10c5c5c1[C@@]1(C6=C6c%11c2[C@@]2(c7c3[C@@]3(C=8[C@]4(c4c9c5c1c1[C@]6(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)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: 11.118 ± 0.0003 Å
• b: 11.1525 ± 0.0003 Å
• c: 12.2892 ± 0.0003 Å
• α: 69.872 ± 0.001°
• β: 70.133 ± 0.001°
• γ: 76.892 ± 0.001°
• Cell volume: 1335.12 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No