Information card for entry 2213020

Structure parameters

• Common name: p-Carboxylphenylammonium trifluoroacetate
• Chemical name: 4-Carboxyphenylammonium trifluoroacetate
• Formula: C9 H8 F3 N O4
• Calculated formula: C9 H8 F3 N O4
• Title of publication: Chain and ring motifs in 4-carboxyphenylammonium trifluoroacetate
• Authors of publication: S. Athimoolam; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1910 - o1912
• a: 6.805 ± 0.001 Å
• b: 8.202 ± 0.002 Å
• c: 9.378 ± 0.004 Å
• α: 83.699 ± 0.011°
• β: 77.811 ± 0.009°
• γ: 84.415 ± 0.015°
• Cell volume: 507.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes