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Information card for entry 7232197
Preview
| Coordinates | 7232197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | p-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 | 6.4342 ± 0.001 Å |
| b | 4.6146 ± 0.0004 Å |
| c | 10.5397 ± 0.001 Å |
| α | 90° |
| β | 100.667 ± 0.009° |
| γ | 90° |
| Cell volume | 307.53 ± 0.06 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.0559 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223640 (current) | 2019-11-07 | cif/ Updating files of 7232195, 7232196, 7232197, 7232198, 7232199 Original log message: Adding full bibliography for 7232195--7232199.cif. |
7232197.cif |
| 213243 | 2019-01-22 | cif/ Adding structures of 7232195, 7232196, 7232197, 7232198, 7232199 via cif-deposit CGI script. |
7232197.cif |
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Users of the data should acknowledge the original authors of the
structural data.