Information card for entry 2236278

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-{4-[<i>N</i>-(4-hydroxyphenyl)carbamoyl]benzyl}carbamate
• Formula: C19 H22 N2 O4
• Calculated formula: C19 H22 N2 O4
• SMILES: N(C(=O)OC(C)(C)C)Cc1ccc(cc1)C(=O)Nc1ccc(O)cc1
• Title of publication: <i>tert</i>-Butyl <i>N</i>-{4-[<i>N</i>-(4-hydroxyphenyl)carbamoyl]benzyl}carbamate
• Authors of publication: Yu, Hai-Yang; Fang, Xin; Huang, Ming-Dong; Wang, Jun-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3023
• a: 12.289 ± 0.003 Å
• b: 14.185 ± 0.003 Å
• c: 10.98 ± 0.002 Å
• α: 90°
• β: 98.21 ± 0.03°
• γ: 90°
• Cell volume: 1894.4 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes