Information card for entry 4134309

Structure parameters

• Formula: C44 H54 Co O4 P2
• Calculated formula: C44 H54 Co O4 P2
• Title of publication: Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.
• Authors of publication: Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.6609 ± 0.0008 Å
• b: 36.865 ± 0.002 Å
• c: 16.0767 ± 0.0009 Å
• α: 90°
• β: 90.141 ± 0.002°
• γ: 90°
• Cell volume: 8096.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No