Information card for entry 4106975

Structure parameters

• Formula: C51 H36 Cl F3 Ni P2
• Calculated formula: C51.001 H36 Cl F3.003 Ni P2
• Title of publication: Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions
• Authors of publication: Shaozhong Ge; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16330 - 16333
• a: 11.5868 ± 0.0011 Å
• b: 16.3974 ± 0.0016 Å
• c: 21.272 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4041.5 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No