Information card for entry 7244855

Structure parameters

• Formula: C17 H19 N O
• Calculated formula: C17 H19 N O
• SMILES: O=C(NCc1ccccc1)[C@H](Cc1ccccc1)C
• Title of publication: Catalyst- and solvent-free aminolysis of the asymmetric derivatives of Evans’ chiral N-acyloxazolidinones: enantioselective synthesis of chiral amides and its applications
• Authors of publication: Lu, Hui-Rong; Geng, Hui; Ding, Guan-Tian; Huang, Pei-Qiang
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 4405 - 4413
• a: 9.7488 ± 0.0001 Å
• b: 9.7803 ± 0.0001 Å
• c: 14.7582 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1407.14 ± 0.02 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No