Information card for entry 2204664

Structure parameters

• Formula: C11 H15 N O4
• Calculated formula: C11 H15 N O4
• SMILES: O(C(=O)N1[C@H]2[C@H]3[C@@H]([C@@H](C1=O)C2)O3)C(C)(C)C
• Title of publication: (1<i>S</i>,2<i>R</i>,4<i>S</i>,5<i>R</i>)-<i>tert</i>-Butyl 7-oxo-3-oxa-6-azatricyclo[3.2.1.0^2,4^]octane-6-carboxylate
• Authors of publication: Meltzer, Martin von; Marsch, Michael; Carell, Thomas; Harms, Klaus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2515 - o2516
• a: 5.82 ± 0.0003 Å
• b: 8.0891 ± 0.0005 Å
• c: 23.3254 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1098.13 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes