Information card for entry 4066216

Structure parameters

• Formula: C23 H26 Cl2 P2 Pd
• Calculated formula: C23 H26 Cl2 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P@@](CC)(c2ccccc2)[C@@H](C)C[P]1(c1ccccc1)c1ccccc1
• 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: 9.0468 ± 0.0003 Å
• b: 14.4313 ± 0.0006 Å
• c: 9.6325 ± 0.0004 Å
• α: 90°
• β: 111.908 ± 0.002°
• γ: 90°
• Cell volume: 1166.77 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No