Information card for entry 2232703

Structure parameters

• Chemical name: 5-<i>tert</i>-Butyl 3-ethyl 1-isopropyl-4,5,6,7-tetrahydro-1<i>H</i>- pyrazolo[4,3-<i>c</i>]pyridine-3,5-dicarboxylate
• Formula: C17 H27 N3 O4
• Calculated formula: C17 H27 N3 O4
• SMILES: O=C(OCC)c1nn(c2c1CN(CC2)C(=O)OC(C)(C)C)C(C)C
• Title of publication: 5-<i>tert</i>-Butyl 3-ethyl 1-isopropyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine-3,5-dicarboxylate
• Authors of publication: Guo, Huan-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3239
• a: 13.017 ± 0.003 Å
• b: 12.771 ± 0.003 Å
• c: 11.952 ± 0.003 Å
• α: 90°
• β: 115.76 ± 0.003°
• γ: 90°
• Cell volume: 1789.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes