Information card for entry 4025519

Structure parameters

• Formula: C82 H38 O8
• Calculated formula: C82 H38 O8
• Title of publication: Synthesis and Regiochemistry of [60]Fullerenyl 2-Methylmalonate Bisadducts and their Facile Electron-Accepting Properties
• Authors of publication: Ken Kokubo; Riyah S. Arastoo; Takumi Oshima; Chun-Chih Wang; Yuan Gao; Hsing-Lin Wang; Hao Geng; Long Y. Chiang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 4574 - 4583
• a: 15.0742 ± 0.0003 Å
• b: 20.5227 ± 0.0004 Å
• c: 16.5372 ± 0.0003 Å
• α: 90°
• β: 105.975 ± 0.0007°
• γ: 90°
• Cell volume: 4918.43 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No