Information card for entry 4131117

Structure parameters

• Formula: C18 H23 O P
• Calculated formula: C18 H23 O P
• SMILES: [P@](=O)(CC(C)(C)C)(c1ccc(cc1)C)c1ccccc1
• Title of publication: Enantioselective Cu-Catalyzed Arylation of Secondary Phosphine Oxides with Diaryliodonium Salts toward the Synthesis of P-Chiral Phosphines.
• Authors of publication: Beaud, Rodolphe; Phipps, Robert J.; Gaunt, Matthew J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 40
• Pages of publication: 13183 - 13186
• a: 8.3113 ± 0.0003 Å
• b: 11.2268 ± 0.0005 Å
• c: 9.8191 ± 0.0004 Å
• α: 90°
• β: 111.642 ± 0.002°
• γ: 90°
• Cell volume: 851.63 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No