Information card for entry 2210282

Structure parameters

• Chemical name: N,N'-Di-1-naphthyloxamide
• Formula: C22 H16 N2 O2
• Calculated formula: C22 H16 N2 O2
• SMILES: O=C(C(=O)Nc1cccc2c1cccc2)Nc1cccc2c1cccc2
• Title of publication: <i>N</i>,<i>N</i>'-Di-1-naphthyloxamide
• Authors of publication: Shu-Sheng Zhang; Li-Li Xu; Sai Bi; Xue-Mei Li; Yong-Hong Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3645 - o3646
• a: 14.351 ± 0.005 Å
• b: 6.105 ± 0.002 Å
• c: 9.639 ± 0.004 Å
• α: 90°
• β: 91.798 ± 0.006°
• γ: 90°
• Cell volume: 844.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1059
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes