Information card for entry 4029545

Structure parameters

• Formula: C84.5 H41 N O9 S4
• Calculated formula: C84.5 H41 N O9 S4
• Title of publication: Reactivity of fullerene epoxide: preparation of fullerene-fused thiirane, tetrahydrothiazolidin-2-one, and 1,3-dioxolane.
• Authors of publication: Yang, Xiaobing; Huang, Shaohua; Jia, Zhenshan; Xiao, Zuo; Jiang, Zhongping; Zhang, Qianyan; Gan, Liangbing; Zheng, Bo; Yuan, Gu; Zhang, Shiwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2518 - 2526
• a: 23.477 ± 0.005 Å
• b: 13.864 ± 0.003 Å
• c: 19.873 ± 0.004 Å
• α: 90°
• β: 111.31 ± 0.03°
• γ: 90°
• Cell volume: 6026 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1404
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No