Information card for entry 4509313

Structure parameters

• Chemical name: 4-aminobenzoic acid 3,5-dinitrobenzoic acid
• Formula: C14 H11 N3 O8
• Calculated formula: C14 H11 N3 O8
• Title of publication: Designing Acid Acid Co-Crystals−The Use of Hammett Substitution Constants
• Authors of publication: Chadwick, Keith; Sadiq, Ghazala; Davey, Roger J.; Seaton, Colin C.; Pritchard, Robin G.; Parkin, Andrew
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1278
• a: 6.918 ± 0.002 Å
• b: 20.663 ± 0.007 Å
• c: 21.301 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3044.9 ± 1.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d 2 d
• Hall space group symbol: F -2d -2d
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for all reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8597
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No