Information card for entry 4134311

Structure parameters

• Formula: C26 H46 Co O4 P2
• Calculated formula: C26 H46 Co O4 P2
• SMILES: C[P@]1(C(C)(C)C)c2ccccc2[P@](C)(C(C)(C)C)[Co]231([O]=C(C(C)(C)C)O2)[O]=C(C(C)(C)C)O3
• 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: 10.4017 ± 0.0004 Å
• b: 16.9632 ± 0.0005 Å
• c: 33.2921 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5874.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No