Information card for entry 2016126

Structure parameters

• Common name: p-carboxylphenylammonium (2R,3R)-tartrate
• Chemical name: 4-Carboxyanilinium (2R,3R)-tartrate
• Formula: C11 H13 N O8
• Calculated formula: C11 H13 N O8
• SMILES: c1(C(=O)O)ccc([NH3+])cc1.C(=O)([O-])[C@H](O)[C@H](C(=O)O)O
• Title of publication: 4-Carboxyanilinium (2<i>R</i>,3<i>R</i>)-tartrate and a redetermination of the α-polymorph of 4-aminobenzoic acid
• Authors of publication: S. Athimoolam; S. Natarajan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o514 - o517
• a: 6.021 ± 0.004 Å
• b: 28.789 ± 0.011 Å
• c: 7.426 ± 0.005 Å
• α: 90°
• β: 107.89 ± 0.04°
• γ: 90°
• Cell volume: 1225 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes