Information card for entry 2232841

Structure parameters

• Chemical name: <i>tert</i>-Butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
• Formula: C12 H20 N2 O3
• Calculated formula: C12 H20 N2 O3
• SMILES: O=C1NCC[C@]21CCN(C2)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
• Authors of publication: Yang, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3492
• a: 10.495 ± 0.005 Å
• b: 6.283 ± 0.003 Å
• c: 19.247 ± 0.01 Å
• α: 90°
• β: 97.029 ± 0.008°
• γ: 90°
• Cell volume: 1259.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes