Information card for entry 7105628

Structure parameters

• Formula: C41 H39 Cl N O P Pd
• Calculated formula: C41 H39 Cl N O P Pd
• SMILES: [Pd]1(c2ccc3ccccc3c2[C@@H](C)[N]1(C)C)(Cl)[P](c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)CC(=O)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: 15.6428 ± 0.0008 Å
• b: 17.0104 ± 0.0011 Å
• c: 25.576 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6805.5 ± 0.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No