Information card for entry 7053326

Structure parameters

• Formula: C86 F32
• Calculated formula: C86 F32
• SMILES: FC1(F)C23c4c5C6(c7c2c2c8c3c3C9%10c4c4c%11c5c5c6c6c%12c7c7c2c2c%13c8c8c3c3c9c9C4(c4c%11c%11c5c5c6c6c%14C%15%16c%17c%18C%19(c%20c%15c(c%126)c7c2c%20c2c%19c6C7%12c%18c%15c%18c%17c%14c5c%11c%18c4C%15(c9c7c3c6c8c%132)C(F)(F)C(F)(F)C(F)(F)C%12(F)F)C(F)(F)C(F)(F)C(F)(F)C%16(F)F)C(F)(F)C(F)(F)C(F)(F)C%10(F)F)C(F)(F)C(F)(F)C1(F)F
• 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: 22.599 ± 0.002 Å
• b: 16.53 ± 0.001 Å
• c: 11.926 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4455.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1662
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No