Information card for entry 2220897

Structure parameters

• Chemical name: <i>tert</i>-Butyl 3-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)methylamino]-4-methoxyimino-3- methylpiperidine-1-carboxylate
• Formula: C18 H33 N3 O5
• Calculated formula: C18 H33 N3 O5
• SMILES: N1(CC(N(C(=O)OC(C)(C)C)C)(C(=N\OC)\CC1)C)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl 3-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)methylamino]-4-methoxyimino-3-methylpiperidine-1-carboxylate
• Authors of publication: Wan, Zhilong; Chai, Yun; Liu, Mingliang; Guo, Huiyuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o256
• a: 28.867 ± 0.003 Å
• b: 6.1887 ± 0.0013 Å
• c: 25.379 ± 0.003 Å
• α: 90°
• β: 112.769 ± 0.002°
• γ: 90°
• Cell volume: 4180.6 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes