Information card for entry 4066219

Structure parameters

• Formula: C30 H36 Cl3 N2 O4 P Pd
• Calculated formula: C30 H36 Cl3 N2 O4 P Pd
• SMILES: [Pd]12([P](CC)(CCc3[n]1cccc3)c1ccccc1)[N](=C(c1c2ccc2ccccc12)C)(C)C.Cl(=O)(=O)(=O)[O-].C(Cl)Cl
• Title of publication: Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle
• Authors of publication: Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3374
• a: 9.8594 ± 0.0004 Å
• b: 14.0726 ± 0.0006 Å
• c: 11.7832 ± 0.0005 Å
• α: 90°
• β: 90.289 ± 0.001°
• γ: 90°
• Cell volume: 1634.87 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No