Information card for entry 7155568

Structure parameters

• Formula: C10 H11 N O2
• Calculated formula: C10 H11 N O2
• SMILES: O1C(=O)N[C@@H]([C@H]1C)c1ccccc1.O1C(=O)N[C@H]([C@@H]1C)c1ccccc1
• Title of publication: Synthesis of Oxazolidinones: Rhodium-Catalyzed C‒H Amination of N-Mesyloxycarbamates.
• Authors of publication: Lebel, Helene; Mamani Laparra, Laura; Khalifa, Maroua; Trudel, Carl; Audubert, Clément; Szponarski, Mathieu; Dicaire-Leduc, Cédric; Azek, Emna; Ernzerhof, Matthias
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 14.32966 ± 0.00013 Å
• b: 8.77119 ± 0.00008 Å
• c: 14.61018 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1836.33 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No