Information card for entry 2228391

Structure parameters

• Chemical name: Ammonium 4-(4-carboxyphenoxy)benzoate
• Formula: C14 H13 N O5
• Calculated formula: C14 H13 N O5
• Title of publication: Ammonium 4-(4-carboxyphenoxy)benzoate
• Authors of publication: Li, He-Ping; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3345
• a: 6.1916 ± 0.0001 Å
• b: 28.5483 ± 0.0006 Å
• c: 7.1123 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1257.17 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes