Information card for entry 1558957

Structure parameters

• Formula: C44 H63 O2.5 P2
• Calculated formula: C44 H63 O2.5 P2
• Title of publication: Access to P-Chiral sec- and tert-Phosphine Oxides Enabled by Le-Phos-Catalyzed Asymmetric Kinetic Resolution
• Authors of publication: Qiu, Haile; Dai, Qiang; He, Jiafeng; Li, Wenbo; Zhang, Junliang
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 11.2099 ± 0.0001 Å
• b: 17.2004 ± 0.0002 Å
• c: 21.3573 ± 0.0002 Å
• α: 90°
• β: 98.838 ± 0.001°
• γ: 90°
• Cell volume: 4069.11 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No