Information card for entry 4127961

Structure parameters

• Formula: C23 H23 O P
• Calculated formula: C23 H23 O P
• SMILES: [P@@](=O)(C/C=C/c1ccc(c2ccccc2)cc1)(CC)c1ccccc1
• Title of publication: Ni-Catalyzed Asymmetric Allylation of Secondary Phosphine Oxides.
• Authors of publication: Liu, Xu-Teng; Zhang, Ya-Qian; Han, Xue-Yu; Sun, Shi-Ping; Zhang, Qing-Wei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 42
• Pages of publication: 16584 - 16589
• a: 5.5889 ± 0.0005 Å
• b: 7.8356 ± 0.0007 Å
• c: 22.0624 ± 0.0017 Å
• α: 90°
• β: 91.268 ± 0.004°
• γ: 90°
• Cell volume: 965.93 ± 0.14 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287 ± 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: 0.0844
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No