Information card for entry 7156563

Structure parameters

• Formula: C20 H20 Cl N O3
• Calculated formula: C20 H20 Cl N O3
• Title of publication: Synthesis of chiral seven-membered β-substituted lactams via Rh-catalyzed asymmetric hydrogenation.
• Authors of publication: Huang, Yi; Li, Pan; Dong, Xiu-Qin; Zhang, Xumu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 8819 - 8823
• a: 5.32172 ± 0.00003 Å
• b: 11.65514 ± 0.00005 Å
• c: 28.13606 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1745.15 ± 0.014 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0238
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No