Information card for entry 4066527

Structure parameters

• Formula: C31 H32 Cl N2 P Pd
• Calculated formula: C31 H32 Cl N2 P Pd
• SMILES: [Pd]1(c2ccc3ccccc3c2[C@@H](C)[N]1(C)C)(Cl)[P](CC/C=C/C#N)(c1ccccc1)c1ccccc1
• Title of publication: Novel Synthesis of Chiral 1,3-Diphosphines via Palladium Template Promoted Hydrophosphination and Functional Group Transformation Reactions
• Authors of publication: Yuan, Mingjun; Pullarkat, Sumod A.; Li, Yongxin; Lee, Zhi-Yi; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 16
• Pages of publication: 3582
• a: 11.7521 ± 0.0003 Å
• b: 13.481 ± 0.0003 Å
• c: 18.0259 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2855.84 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No