Information card for entry 1504055

Structure parameters

• Formula: C11 H17 N O3
• Calculated formula: C11 H17 N O3
• SMILES: N1(CC2(C1)CC(=O)C2)C(=O)OC(C)(C)C
• Title of publication: Synthesis of tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate.
• Authors of publication: Meyers, Marvin J.; Muizebelt, Inouk; van Wiltenburg, Jim; Brown, David L.; Thorarensen, Atli
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 3523 - 3525
• a: 6.6599 ± 0.0002 Å
• b: 9.8956 ± 0.0003 Å
• c: 9.9738 ± 0.0003 Å
• α: 108.604 ± 0.001°
• β: 96.856 ± 0.002°
• γ: 97.248 ± 0.002°
• Cell volume: 609.01 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No