Information card for entry 7014416

Structure parameters

• Formula: C170 H16 F48
• Calculated formula: C170 H16 F48
• 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: 11.0208 ± 0.0006 Å
• b: 12.2075 ± 0.0006 Å
• c: 19.5614 ± 0.0012 Å
• α: 91.059 ± 0.003°
• β: 91.737 ± 0.003°
• γ: 103.814 ± 0.003°
• Cell volume: 2553.5 ± 0.2 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: 0.1643
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No