Information card for entry 4102316

Structure parameters

• Formula: C27 H22 Br O2 P
• Calculated formula: C27 H22 Br O2 P
• SMILES: Brc1ccc(C(=O)C[C@H](P(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
• Title of publication: Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to Enones toward the Synthesis of Chiral Phosphines
• Authors of publication: Jian-Jun Feng; Xue-Feng Chen; Min Shi; Wei-Liang Duan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5562 - 5563
• a: 5.6763 ± 0.0008 Å
• b: 17.997 ± 0.003 Å
• c: 22.844 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2333.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No