Information card for entry 7107199

Structure parameters

• Formula: C20 H25 O2 P
• Calculated formula: C20 H25 O2 P
• SMILES: c1ccccc1C(=O)C[C@](c1ccccc1)(C)P(=O)(CC)CC
• Title of publication: Catalytic asymmetric construction of tetrasubstituted carbon stereocenters by conjugate addition of dialkyl phosphine oxides to B,B-disubstituted a,B-unsaturated carbonyl compounds
• Authors of publication: Depeng Zhao; Lijuan Mao; Linqing Wang; Dongxu Yang; Rui Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 889
• a: 13.41 ± 0.005 Å
• b: 13.41 ± 0.005 Å
• c: 8.943 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1392.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No