Information card for entry 2212428

Structure parameters

• Chemical name: 4-Nitro-N-[4-(4-nitrophenoxy)phenyl]benzamide
• Formula: C19 H13 N3 O6
• Calculated formula: C19 H13 N3 O6
• SMILES: N(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(N(=O)=O)cc3)cc2)cc1
• Title of publication: 4-Nitro-<i>N</i>-[4-(4-nitrophenoxy)phenyl]benzamide
• Authors of publication: Butt, M. Saeed; Akhter, Zareen; Bolte, Michael; Siddiqui, Humaira M.; Ehsan Shamsi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o476 - o478
• a: 5.0815 ± 0.0002 Å
• b: 13.5782 ± 0.0008 Å
• c: 24.3279 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1678.57 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes