Information card for entry 4131164

Structure parameters

• Formula: C95 H29 N2 O2
• Calculated formula: C95 H29 N2 O2
• Title of publication: Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.
• Authors of publication: Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16459 - 16465
• a: 10.0211 ± 0.0005 Å
• b: 16.2229 ± 0.0009 Å
• c: 16.7816 ± 0.0008 Å
• α: 82.685 ± 0.003°
• β: 85.938 ± 0.003°
• γ: 76.786 ± 0.003°
• Cell volume: 2631.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No