Information card for entry 2200269

Structure parameters

• Chemical name: N,N'-Diethyl-N,N'-diphenyl-3-oxapentanediamide
• Formula: C20 H24 N2 O3
• Calculated formula: C20 H24 N2 O3
• SMILES: O(CC(=O)N(c1ccccc1)CC)CC(=O)N(c1ccccc1)CC
• Title of publication: <i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-diphenyl-3-oxapentanediamide
• Authors of publication: Zhang, Yan-Ling; Wang, Ya-Wen; Li, Yi-Zhi; Liu, Wei-Sheng; Yu, Kai-Bei; Wang, Liu-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o483 - o484
• a: 9.274 ± 0.002 Å
• b: 9.641 ± 0.001 Å
• c: 20.746 ± 0.003 Å
• α: 90°
• β: 94.17 ± 0.02°
• γ: 90°
• Cell volume: 1850 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes