Information card for entry 4066218

Structure parameters

• Formula: C29 H34 Cl N2 O4 P Pd
• Calculated formula: C29 H34 Cl N2 O4 P Pd
• SMILES: [Pd]12(c3ccc4ccccc4c3[C@@H](C)[N]1(C)C)[n]1ccccc1CC[P]2(CC)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• 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: 10.1048 ± 0.0003 Å
• b: 11.6626 ± 0.0004 Å
• c: 24.207 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2852.75 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No