Information card for entry 7107413

Structure parameters

• Formula: C83 H31 Cl9 N2 O7
• Calculated formula: C83 H31 Cl9 N2 O7
• 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: 14.7838 ± 0.0019 Å
• b: 15.0011 ± 0.0018 Å
• c: 15.416 ± 0.002 Å
• α: 75.211 ± 0.004°
• β: 88.656 ± 0.005°
• γ: 72.633 ± 0.004°
• Cell volume: 3149.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No