Information card for entry 7111651

Structure parameters

• Formula: C19 H21 O2 P
• Calculated formula: C19 H21 O2 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)[C@@]1(CCCC(=O)C1)C
• Title of publication: Enantioselective organocatalytic phospha-Michael reaction of α,β-unsaturated ketones
• Authors of publication: Wen, Shigang; Li, Pengfei; Wu, Haibo; Yu, Feng; Liang, Xinmiao; Ye, Jinxing
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 4806 - 4808
• a: 6.3328 ± 0.0002 Å
• b: 9.3463 ± 0.0003 Å
• c: 28.2033 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669.3 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No