Information card for entry 4135487

Structure parameters

• Formula: C15 H14 Cl N O
• Calculated formula: C15 H14 Cl N O
• Title of publication: Asymmetric Markovnikov Hydroaminocarbonylation of Alkenes Enabled by Palladium-Monodentate Phosphoramidite Catalysis
• Authors of publication: Yao, Ya-Hong; Yang, Hui-Yi; Chen, Ming; Wu, Fei; Xu, Xing-Xing; Guan, Zheng-Hui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 35.208 ± 0.009 Å
• b: 8.244 ± 0.002 Å
• c: 9.711 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2818.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No