Information card for entry 7053006

Structure parameters

• Formula: C93.64 H13.16 F54
• Calculated formula: C93.64 H7 F54
• Title of publication: Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20
• Authors of publication: Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 2
• Pages of publication: 299
• a: 12.448 ± 0.001 Å
• b: 13.931 ± 0.001 Å
• c: 22.376 ± 0.002 Å
• α: 86.52 ± 0.01°
• β: 80.65 ± 0.01°
• γ: 69.71 ± 0.01°
• Cell volume: 3591.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.905 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No