Information card for entry 7014419

Structure parameters

• Formula: C190.82 H33.88 Cl6.94 F48 O8
• Calculated formula: C190.82 H20 Cl6.94 F48 O8.008
• Title of publication: Unexpected fullerene dimerization via [5,6]-bond upon functionalization of C(s)-C70(CF3)8 by the Bingel reaction.
• Authors of publication: Ovchinnikova, Natalia S.; Goryunkov, Alexey A.; Khavrel, Pavel A.; Belov, Nikita M.; Apenova, Marina G.; Ioffe, Ilya N.; Yurovskaya, Marina A.; Troyanov, Sergey I.; Sidorov, Lev N.; Kemnitz, Erhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 959 - 965
• a: 17.125 ± 0.001 Å
• b: 27.043 ± 0.003 Å
• c: 15.128 ± 0.002 Å
• α: 90°
• β: 108.45 ± 0.006°
• γ: 90°
• Cell volume: 6645.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1788
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No