Information card for entry 4105694

Structure parameters

• Formula: C145 H24 S6
• Calculated formula: C145 H24 S6
• Title of publication: Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes
• Authors of publication: Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2402 - 2405
• a: 9.976 ± 0.003 Å
• b: 37.485 ± 0.013 Å
• c: 10.185 ± 0.004 Å
• α: 90°
• β: 95.426 ± 0.004°
• γ: 90°
• Cell volume: 3792 ± 2 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No