Information card for entry 4332845

Structure parameters

• Formula: C43 H46 Cl3 N O5 P2 Pd
• Calculated formula: C43 H46 Cl3 N O5 P2 Pd
• SMILES: [Pd]12([P]([C@@H](C[P]1(c1ccccc1)c1ccccc1)CCO)(c1ccccc1)c1ccccc1)[N]([C@@H](c1c2ccc2ccccc12)C)(C)C.C(Cl)Cl.Cl(=O)(=O)(=O)[O-]
• Title of publication: A Novel Approach toward Asymmetric Synthesis of Alcohol Functionalized C-Chiral Diphosphines via Two-Stage Hydrophosphination of Terminal Alkynols
• Authors of publication: Pullarkat, Sumod A.; Yi, Ding; Li, Yongxin; Tan, Geok-Kheng; Leung, Pak-Hing
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7455 - 7463
• a: 10.0929 ± 0.0011 Å
• b: 19.017 ± 0.002 Å
• c: 22.489 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4316.5 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No