Information card for entry 4314666

Structure parameters

• Formula: C30 H30 Cl2 O P2 Pd
• Calculated formula: C30 H30 Cl2 O P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)[C@H](CC(=O)C)CC[P]1(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric Synthesis of Functionalized 1,3-Diphosphines via Chiral Palladium Complex Promoted Hydrophosphination of Activated Olefins
• Authors of publication: Mingjun Yuan; Na Zhang; Sumod A. Pullarkat; Yongxin Li; Fengli Liu; Phuong-Tu Pham; Pak-Hing Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 989 - 996
• a: 8.5973 ± 0.001 Å
• b: 10.8849 ± 0.0012 Å
• c: 16.26 ± 0.002 Å
• α: 97.704 ± 0.005°
• β: 99.824 ± 0.005°
• γ: 107.217 ± 0.005°
• Cell volume: 1404.3 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No