Information card for entry 1559017

Structure parameters

• Chemical name: (Z)-(3-Benzyl-2-(phenylimino)oxazolidin-4-yl)methanol
• Formula: C17 H18 N2 O2
• Calculated formula: C17 H18 N2 O2
• SMILES: O1C(=N\c2ccccc2)/N(C(C1)CO)Cc1ccccc1
• Title of publication: 3-Aminooxetanes: versatile 1,3-amphoteric molecules for intermolecular annulation reactions
• Authors of publication: Lai, Zengwei; Zhang, Renwei; Feng, Qiang; Sun, Jianwei
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 10.7941 ± 0.0003 Å
• b: 9.6492 ± 0.0003 Å
• c: 14.6149 ± 0.0004 Å
• α: 90°
• β: 109.529 ± 0.003°
• γ: 90°
• Cell volume: 1434.64 ± 0.08 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No