Information card for entry 4135331

Structure parameters

• Chemical name: 1
• Formula: C19 H20 Cl N O2
• Calculated formula: C19 H20 Cl N O2
• Title of publication: Direct Enantioselective C(sp³)-H Acylation for the Synthesis of α-Amino Ketones.
• Authors of publication: Shu, Xiaomin; Huan, Leitao; Huang, Qian; Huo, Haohua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 11.705 ± 0.0006 Å
• b: 5.1203 ± 0.0002 Å
• c: 15.0401 ± 0.0007 Å
• α: 90°
• β: 112.529 ± 0.005°
• γ: 90°
• Cell volume: 832.61 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No