Information card for entry 7107411

Structure parameters

• Formula: C101 H50 N2 O5
• Calculated formula: C97.35 H44.0855 N2 O5
• Title of publication: Synthesis of a green [60]fullerene derivative through cage-opening reactions
• Authors of publication: Liangbing Gan; Shuming Liu; Yuanhua Shao
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2531
• a: 32.301 ± 0.007 Å
• b: 11.246 ± 0.002 Å
• c: 36.097 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13112 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections included in the refinement: 0.236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No