Information card for entry 4024488

Structure parameters

• Formula: C77 H36 O10 S2
• Calculated formula: C77 H36 O10 S2
• Title of publication: Synthesis of Fullerene Oxides Containing Both 6,6-Closed Epoxide and 5,6-Open Ether Moieties through Thermolysis of Fullerene Peroxides
• Authors of publication: Jiayao Yao; Dazhi Yang; Zuo Xiao; Liangbing Gan; Zheming Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 3528 - 3531
• a: 18.9125 ± 0.0003 Å
• b: 14.3843 ± 0.0002 Å
• c: 20.3313 ± 0.0004 Å
• α: 90°
• β: 108.279 ± 0.0006°
• γ: 90°
• Cell volume: 5251.89 ± 0.15 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• 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: 0.1451
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No