Information card for entry 2208039

Structure parameters

• Chemical name: N,N'-Bis(4-methoxyphenyl)-3-oxapentanediamide
• Formula: C18 H20 N2 O5
• Calculated formula: C18 H20 N2 O5
• SMILES: O(C)c1ccc(NC(=O)COCC(=O)Nc2ccc(OC)cc2)cc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-methoxyphenyl)-3-oxapentanediamide
• Authors of publication: Yong-Hong Wen; Hui-Ling Wen; Shu-Sheng Zhang; Xue-Mei Li; Kun Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o682 - o684
• a: 8.1399 ± 0.001 Å
• b: 8.4654 ± 0.0011 Å
• c: 13.3901 ± 0.0017 Å
• α: 103.201 ± 0.002°
• β: 101.383 ± 0.002°
• γ: 92.577 ± 0.002°
• Cell volume: 876.7 ± 0.19 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: 0.0712
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes