Information card for entry 2217299

Structure parameters

• Chemical name: tert-Butyl 4-({[(E)-1,3-dimethyl-5-phenoxypyrazol-4-yl]methyl}aminooxymethyl)benzoate
• Formula: C24 H27 N3 O4
• Calculated formula: C24 H27 N3 O4
• SMILES: O(c1ccccc1)c1n(nc(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)C)C
• Title of publication: <i>tert</i>-Butyl 4-({[(<i>E</i>)-1,3-dimethyl-5-phenoxypyrazol-4-yl]methyl}aminooxymethyl)benzoate
• Authors of publication: Na Fu; Xiao-Mao Zou; Da-Yong Lin; You-Quan Zhu; Hua-Zheng Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o192 - o192
• a: 9.672 ± 0.003 Å
• b: 9.908 ± 0.003 Å
• c: 13.179 ± 0.003 Å
• α: 72.487 ± 0.005°
• β: 71.614 ± 0.005°
• γ: 74.494 ± 0.004°
• Cell volume: 1122 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1031
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes