Information card for entry 1550740

Structure parameters

• Formula: C30 H37 O5 P
• Calculated formula: C30 H37 O5 P
• SMILES: [P@@](=O)(c1ccccc1O)(C12CC3CC(CC(C1)C3)C2)c1ccccc1OCC(=C)C(=O)OC(C)(C)C
• Title of publication: Access to P-Chiral Phosphine Oxides by Enantioselective Allylic Alkylation of Bisphenols
• Authors of publication: Yang, Guohui; Li, Yao; Li, Xin; Cheng, Jin-Pei
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.027 ± 0.005 Å
• b: 15.901 ± 0.007 Å
• c: 13.857 ± 0.006 Å
• α: 90°
• β: 91.391 ± 0.009°
• γ: 90°
• Cell volume: 2649 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1449
• Residual factor for significantly intense reflections: 0.1225
• Weighted residual factors for significantly intense reflections: 0.3363
• Weighted residual factors for all reflections included in the refinement: 0.3641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No