Information card for entry 2201103

Structure parameters

• Chemical name: tert-Butyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• Formula: C12 H21 N O4
• Calculated formula: C12 H21 N O4
• SMILES: O=C(C1N(C(=O)OC(C)(C)C)C(OC1)(C)C)C
• Title of publication: <i>tert</i>-Butyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• Authors of publication: Sawatzki, Peter; Mikeska, Thomas; Nieger, Martin; Hupfer, Heike; Kolter, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o359 - o361
• a: 13.6452 ± 0.0005 Å
• b: 10.1594 ± 0.0005 Å
• c: 10.0848 ± 0.0004 Å
• α: 90°
• β: 100.163 ± 0.002°
• γ: 90°
• Cell volume: 1376.09 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0455
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes