Information card for entry 4135365

Structure parameters

• Formula: C21 H28 N O2 P
• Calculated formula: C21 H28 N O2 P
• Title of publication: Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.
• Authors of publication: Li, Yan-Bo; Tian, Hu; Yin, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 47
• Pages of publication: 20098 - 20106
• a: 16.0085 ± 0.0003 Å
• b: 7.8446 ± 0.0002 Å
• c: 16.2448 ± 0.0004 Å
• α: 90°
• β: 93.22 ± 0.001°
• γ: 90°
• Cell volume: 2036.81 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.99 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No