Information card for entry 4121628

Structure parameters

• Formula: C48.5 H48 Cl4 N O2 P Pd
• Calculated formula: C48.5 H48 Cl4 N O2 P Pd
• Title of publication: Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.
• Authors of publication: Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 13
• Pages of publication: 4865 - 4868
• a: 12.3208 ± 0.001 Å
• b: 35 ± 0.003 Å
• c: 10.4586 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4510 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No