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Information card for entry 1569628
Preview
| Coordinates | 1569628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H6 Cl N O3 |
|---|---|
| Calculated formula | C6 H6 Cl N O3 |
| Title of publication | pH-Dependent Crystallization of 2-, 4-, 5-, and 6-Hydroxynicotinic Acids in Aqueous Media |
| Authors of publication | Johnson, Aidan V.; Piedade, M. Fátima M.; Esteves, Catarina V. |
| Journal of publication | Crystals |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 1062 |
| a | 12.648 ± 0.003 Å |
| b | 13.634 ± 0.003 Å |
| c | 8.574 ± 0.002 Å |
| α | 90° |
| β | 97.801 ± 0.008° |
| γ | 90° |
| Cell volume | 1464.8 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1619 |
| Residual factor for significantly intense reflections | 0.1045 |
| Weighted residual factors for significantly intense reflections | 0.1444 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285545 (current) | 2023-08-05 | cif/ Adding structures of 1569628 via cif-deposit CGI script. |
1569628.cif |
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Users of the data should acknowledge the original authors of the
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