Information card for entry 4302378

Structure parameters

• Formula: C38 H42 Cl N O4 P2 Pd
• Calculated formula: C38 H42 Cl N O4 P2 Pd
• SMILES: [Pd]12(c3ccc4ccccc4c3[C@@H](C)[N]1(C)C)[P@@](c1ccccc1)(/C=C\C)C[C@@H](C)[P]2(c1ccccc1)c1ccccc1.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: 19.48 ± 0.002 Å
• b: 9.6937 ± 0.0011 Å
• c: 20.358 ± 0.002 Å
• α: 90°
• β: 109.602 ± 0.007°
• γ: 90°
• Cell volume: 3621.5 ± 0.7 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: 0.099
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338549
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No