Information card for entry 4302377

Structure parameters

• Formula: C39 H44 Cl3 N O4 P2 Pd
• Calculated formula: C39 H44 Cl3 N O4 P2 Pd
• SMILES: [Pd]12(c3ccc4ccccc4c3[C@@H](C)[N]1(C)C)[P](c1ccccc1)(c1ccccc1)[C@H](C)C[P@]2(\C=C/C)c1ccccc1.C(Cl)Cl.Cl(=O)(=O)(=O)[O-]
• Title of publication: Asymmetric Synthesis of Diphosphine Ligands Containing Phosphorus and Carbon Stereogenic Centers by Means of a Chiral Palladium Complex Promoted Hydrophosphination Reaction
• Authors of publication: Zhang, Yi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5535 - 5539
• a: 9.3975 ± 0.0005 Å
• b: 9.8036 ± 0.0006 Å
• c: 20.7827 ± 0.0011 Å
• α: 90°
• β: 92.841 ± 0.003°
• γ: 90°
• Cell volume: 1912.34 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338548
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No