Information card for entry 7157527

Structure parameters

• Common name: C60-derivative
• Chemical name: C60-derivative
• Formula: C96 H31 N O S2
• Calculated formula: C96 H31 N O S2
• Title of publication: Electrochemical regioselective alkylations of a [60]fulleroindoline with bulky alkyl bromides.
• Authors of publication: Yang, Yong; Niu, Chuang; Chen, Muqing; Yang, Shangfeng; Wang, Guan-Wu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 4783 - 4787
• a: 10.205 Å
• b: 23.555 Å
• c: 23.364 Å
• α: 90°
• β: 95.62°
• γ: 90°
• Cell volume: 5589.21 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.2902
• Weighted residual factors for all reflections included in the refinement: 0.2931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No