Information card for entry 4038698

Structure parameters

• Formula: C19 H22 Cl N O3
• Calculated formula: C19 H22 Cl N O3
• Title of publication: Asymmetric Transfer Hydrogenation: Dynamic Kinetic Resolution of α-Amino Ketones.
• Authors of publication: Gediya, Shweta K.; Clarkson, Guy J.; Wills, Martin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.73271 ± 0.0001 Å
• b: 10.62789 ± 0.00015 Å
• c: 18.00805 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1862.72 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No