Information card for entry 2222358

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-diphenyl-3-oxapentanediamide
• Formula: C18 H20 N2 O3
• Calculated formula: C18 H20 N2 O3
• SMILES: O=C(N(C)c1ccccc1)COCC(=O)N(C)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-diphenyl-3-oxapentanediamide
• Authors of publication: Yin, Shaohong; Cui, Yu; Wu, Guangpu; You, Qi; Sun, Guoxin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1654
• a: 10.7607 ± 0.0011 Å
• b: 10.7552 ± 0.0012 Å
• c: 14.7054 ± 0.0014 Å
• α: 90°
• β: 102.897 ± 0.001°
• γ: 90°
• Cell volume: 1659 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes