Information card for entry 2220710

Structure parameters

• Chemical name: <i>N</i>-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphthyl)-4-fluoro-<i>N</i>- (4-fluorobenzoyl)benzamide
• Formula: C24 H12 Br F2 N O4
• Calculated formula: C24 H12 Br F2 N O4
• SMILES: BrC1=C(N(C(=O)c2ccc(F)cc2)C(=O)c2ccc(F)cc2)C(=O)c2c(C1=O)cccc2
• Title of publication: <i>N</i>-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphthyl)-4-fluoro-<i>N</i>-(4-fluorobenzoyl)benzamide
• Authors of publication: Akinboye, Emmanuel S.; Butcher, Ray J.; Wright, Dwayne A.; Brandy, Yakini; Bakare, Oladapo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o277
• a: 14.5931 ± 0.0003 Å
• b: 6.6471 ± 0.0001 Å
• c: 20.6324 ± 0.0004 Å
• α: 90°
• β: 98.407 ± 0.002°
• γ: 90°
• Cell volume: 1979.87 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes