Information card for entry 7105627

Structure parameters

• Formula: C47 H45 Cl N O P Pd
• Calculated formula: C47 H45 Cl N O P Pd
• SMILES: [Pd]1(c2ccc3ccccc3c2[C@@H](C)[N]1(C)C)(Cl)[P]([C@@H](CC(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Palladium (II)-Catalyzed Asymmetric Hydrophosphination of Enones: Efficient Access to Chiral Tertiary Phosphines
• Authors of publication: Yinhua Huang; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung
• Journal of publication: Chem. Commun.
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 6950 - 6952
• a: 11.9358 ± 0.0003 Å
• b: 10.0903 ± 0.0003 Å
• c: 17.0594 ± 0.0004 Å
• α: 90°
• β: 105.134 ± 0.001°
• γ: 90°
• Cell volume: 1983.31 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No