Information card for entry 7232198

Structure parameters

• Chemical name: 4-aminobenzoic acid
• Formula: C7 H7 N O2
• Calculated formula: C7 H7 N O2
• Title of publication: Discovery and recovery of delta p-aminobenzoic acid
• Authors of publication: Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2058
• a: 6.4551 ± 0.0005 Å
• b: 4.674 ± 0.0004 Å
• c: 10.547 ± 0.0009 Å
• α: 90°
• β: 100.754 ± 0.003°
• γ: 90°
• Cell volume: 312.63 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.82 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No