Information card for entry 2219736

Structure parameters

• Chemical name: <i>tert</i>-Butyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
• Formula: C10 H15 N O4
• Calculated formula: C10 H15 N O4
• SMILES: O(C(C)(C)C)C(=O)N1C[C@H]2OC(=O)[C@@H]1C2
• Title of publication: <i>tert</i>-Butyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
• Authors of publication: Lechner, Marie-Charlotte; Aubert, Emmanuel; Guichard, Gilles; Didierjean, Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2039
• a: 6.071 ± 0.0007 Å
• b: 9.3703 ± 0.0011 Å
• c: 9.3002 ± 0.001 Å
• α: 90°
• β: 100.013 ± 0.005°
• γ: 90°
• Cell volume: 521 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes