Information card for entry 4031896

Structure parameters

• Formula: C23 H34 O3 P2
• Calculated formula: C23 H32 O3 P2
• SMILES: P(=O)([C@H]1[C@H]([P@@](=O)(C)C(C)(C)C)CCCC1)(c1ccccc1)c1ccccc1.O
• Title of publication: Stereoselectivity of Michael Addition of P(X)-H-Type Nucleophiles to Cyclohexen-1-ylphosphine Oxide: The Case of Base-Selective Transformation.
• Authors of publication: Jaklińska, Magdalena; Cordier, Marie; Stankevič, Marek
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 4
• Pages of publication: 1378 - 1390
• a: 10.2313 ± 0.0003 Å
• b: 14.6185 ± 0.0006 Å
• c: 15.0517 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2251.23 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No