Information card for entry 2220604

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-hydroxyethyl)terephthalamide
• Formula: C16 H24 N2 O6
• Calculated formula: C16 H24 N2 O6
• SMILES: OCCN(C(=O)c1ccc(cc1)C(=O)N(CCO)CCO)CCO
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-hydroxyethyl)terephthalamide
• Authors of publication: Wang, Zhi-Qiang; Xu, Chen; Li, Ying-Fei; Cen, Fei-Fei; Zhang, Yu-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o166
• a: 10.3244 ± 0.0012 Å
• b: 12.5378 ± 0.0014 Å
• c: 12.8384 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1661.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes