Information card for entry 7155569

Structure parameters

• Formula: C11 H19 N O2
• Calculated formula: C11 H19 N O2
• SMILES: O1C(=O)N[C@@H]2[C@H]1CC[C@@H](C2)C(C)(C)C.O1C(=O)N[C@H]2[C@@H]1CC[C@H](C2)C(C)(C)C
• 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: 15.04 ± 0.0004 Å
• b: 6.0462 ± 0.0002 Å
• c: 12.0358 ± 0.0003 Å
• α: 90°
• β: 93.0384 ± 0.0011°
• γ: 90°
• Cell volume: 1092.94 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No