Information card for entry 4314665

Structure parameters

• Formula: C30 H30 Cl2 O2 P2 Pd
• Calculated formula: C30 H30 Cl2 O2 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)[C@H](CC(=O)OC)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: 8.6202 ± 0.0003 Å
• b: 10.7327 ± 0.0004 Å
• c: 16.3388 ± 0.0006 Å
• α: 96.552 ± 0.002°
• β: 99.248 ± 0.002°
• γ: 106.096 ± 0.002°
• Cell volume: 1413.29 ± 0.09 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: 0.059
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No