Information card for entry 2214717

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-<i>tert</i>-Butyl-C-(2,3,4-trimethoxyphenyl)nitrone
• Formula: C14 H21 N O4
• Calculated formula: C14 H21 N O4
• SMILES: O=N(=Cc1ccc(OC)c(OC)c1OC)C(C)(C)C
• Title of publication: (<i>Z</i>)-<i>N</i>-<i>tert</i>-Butyl-<i>C</i>-(2,3,4-trimethoxyphenyl)nitrone
• Authors of publication: Guo, Hao; Zabawa, Mark; Woo, Joyce; Zheng, Chong; Yao, Qingwei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3552 - o3552
• a: 8.7424 ± 0.0015 Å
• b: 9.5039 ± 0.0017 Å
• c: 9.8424 ± 0.0017 Å
• α: 74.055 ± 0.003°
• β: 68.612 ± 0.003°
• γ: 82.108 ± 0.003°
• Cell volume: 731.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes