Information card for entry 2230013

Structure parameters

• Chemical name: 4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide
• Formula: C14 H9 N3 O6
• Calculated formula: C14 H9 N3 O6
• Title of publication: 4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide
• Authors of publication: Saeed, Sohail; Rashid, Naghmana; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1194
• a: 13.4757 ± 0.0007 Å
• b: 8.517 ± 0.0006 Å
• c: 24.6285 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2826.7 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes