Information card for entry 2230106

Structure parameters

• Chemical name: methyl 3,10-dioxa-2-azatricyclo[6.2.1.0^2,6^]undecane-4-carboxylate
• Formula: C10 H15 N O4
• Calculated formula: C10 H15 N O4
• SMILES: N12O[C@H](C(=O)OC)C[C@H]1C[C@@H]1C[C@H]2OC1.N12O[C@@H](C(=O)OC)C[C@@H]1C[C@H]1C[C@@H]2OC1
• Title of publication: Racemic methyl 3,10-dioxa-2-azatricyclo[6.2.1.0^2,6^]undecane-4-carboxylate
• Authors of publication: Moosa, Basem A.; Fazal, Atif; Ali, Shaikh A.; Fettouhi, Mohammed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1245
• a: 11.213 ± 0.003 Å
• b: 7.1075 ± 0.0018 Å
• c: 12.91 ± 0.003 Å
• α: 90°
• β: 91.546 ± 0.005°
• γ: 90°
• Cell volume: 1028.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes