Information card for entry 2210206

Structure parameters

• Chemical name: 3-Carbamoyl-2,2,5,5-tetramethylpyrrolidin-1-yl acetate
• Formula: C11 H20 N2 O3
• Calculated formula: C11 H20 N2 O3
• SMILES: O(N1C(C(CC1(C)C)C(=O)N)(C)C)C(=O)C
• Title of publication: 3-Carbamoyl-2,2,5,5-tetramethylpyrrolidin-1-yl acetate
• Authors of publication: Yang-Ping Liu; Xiu-Feng Zhang; Ke-Jian Liu; Yang Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3672 - o3673
• a: 9.7037 ± 0.0019 Å
• b: 11.706 ± 0.002 Å
• c: 12.293 ± 0.003 Å
• α: 90°
• β: 107.27 ± 0.03°
• γ: 90°
• Cell volume: 1333.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No