Information card for entry 7053319

Structure parameters

• Formula: C80 H14 F8
• Calculated formula: C80 H14 F8
• SMILES: FC1(F)C23c4c5c6c7c8c9c5c5c%10c%11c9c9c8c8c%12c7c7c(c26)c2c6C3(c3c%13c4c5c4c5c%10c%10c%11c%11c9c9c8c8c%12c%12c7c2c2c7c6c3c3c(c%134)c4c5c5c%10c6c%11c9c9c8c8c%12c2c2c7c3c4c3c2c8c9c6c53)C(F)(F)C(F)(F)C1(F)F.CCCCCC
• Title of publication: Synthesis and structure of cycloperfluoroalkylated derivatives of C70, C70(C2F4) and C70(C4F8)n, n = 1‒6
• Authors of publication: Gruzinskaya, Natalia I.; Silin, Andrey I.; Pimenova, Anna S.; Khavrel, Pavel A.; Markov, Vitaliy Yu.; Sidorov, Lev N.; Kemnitz, Erhard; Troyanov, Sergey I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 243
• a: 21.4945 ± 0.0003 Å
• b: 10.1855 ± 0.0004 Å
• c: 20.2452 ± 0.0007 Å
• α: 90°
• β: 107.742 ± 0.003°
• γ: 90°
• Cell volume: 4221.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No