Information card for entry 4126378

Structure parameters

• Formula: C60 H92 N4 O4
• Calculated formula: C60 H92 N4 O4
• Title of publication: Iron-Catalyzed Carboamination of Olefins: Synthesis of Amines and Disubstituted β-Amino Acids.
• Authors of publication: Qian, Bo; Chen, Shaowei; Wang, Ting; Zhang, Xinhao; Bao, Hongli
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 14.8264 ± 0.0017 Å
• b: 10.4299 ± 0.001 Å
• c: 9.5439 ± 0.0005 Å
• α: 90°
• β: 93.909 ± 0.008°
• γ: 90°
• Cell volume: 1472.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No