Information card for entry 4067307

Structure parameters

• Formula: C44 H46 Cl N O6 P2 Pd
• Calculated formula: C44 H46 Cl N O6 P2 Pd
• SMILES: Cl(=O)(=O)(=O)[O-].[Pd]12(c3ccc4ccccc4c3[C@@H](C)[N]1(C)C)[P](c1ccccc1)(c1ccccc1)[C@@H](CC(=O)OCC)C[P]2(c1ccccc1)c1ccccc1
• Title of publication: Palladium Template Promoted Asymmetric Synthesis of 1,2-Diphosphines by Hydrophosphination of Functionalized Allenes
• Authors of publication: Huang, Yinhua; Pullarkat, Sumod A.; Yuan, Mingjun; Ding, Yi; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 536
• a: 8.6173 ± 0.0002 Å
• b: 21.5832 ± 0.0006 Å
• c: 21.7076 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4037.37 ± 0.18 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: 0.0501
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No