Information card for entry 7053323

Structure parameters

• Formula: C74 F8
• Calculated formula: C74 F8
• SMILES: FC1(F)C23c4c5c6c7c8c4c4c9c%10c8c8c7c7c%11c6c6c%12c5c2c2c5c%13C3(c4c3c4c9c9c%10c%10c8c8c7c7c%11c%11c6c6c%12c2c2c5c5c(c%133)c3c4c4c9c9c%10c8c8c7c7c%11c%10c6c2c2c5c3c3c(c%102)c7c8c9c43)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: 17.139 ± 0.001 Å
• b: 11.117 ± 0.001 Å
• c: 20.154 ± 0.001 Å
• α: 90°
• β: 107.078 ± 0.004°
• γ: 90°
• Cell volume: 3670.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.2121
• Residual factor for significantly intense reflections: 0.1341
• Weighted residual factors for significantly intense reflections: 0.2956
• Weighted residual factors for all reflections included in the refinement: 0.3224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No