Information card for entry 4133558

Structure parameters

• Formula: C20 H25 O P
• Calculated formula: C20 H25 O P
• SMILES: [P@@](=O)([C@@H](/C=C/c1ccccc1)C)(c1ccccc1)C(C)(C)C
• Title of publication: Enantioselective Coupling of Dienes and Phosphine Oxides.
• Authors of publication: Nie, Shao-Zhen; Davison, Ryan T.; Dong, Vy M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 48
• Pages of publication: 16450 - 16454
• a: 5.9083 ± 0.0009 Å
• b: 13.523 ± 0.002 Å
• c: 21.616 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1727.1 ± 0.4 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 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: 0.0253
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No