Information card for entry 1502564

Structure parameters

• Formula: C108 H104 Cl2 N2 O2 P2 Pd2
• Calculated formula: C84 H80 Cl2 N2 O2 P2 Pd2
• Title of publication: Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones.
• Authors of publication: Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 5862 - 5865
• a: 39.8657 ± 0.0012 Å
• b: 39.8657 ± 0.0012 Å
• c: 38.2114 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 60728 ± 3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No