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Information card for entry 1568592
Preview
| Coordinates | 1568592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H5 N O2 |
|---|---|
| Calculated formula | C6 H5 N O2 |
| Title of publication | Solubility and Crystallization Studies of Picolinic Acid |
| Authors of publication | Baptista, Diogo S.; Piedade, M. Fátima M.; Esteves, Catarina V. |
| Journal of publication | Crystals |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 3 |
| Pages of publication | 392 |
| a | 21.211 ± 0.0017 Å |
| b | 3.7625 ± 0.0003 Å |
| c | 13.9555 ± 0.0011 Å |
| α | 90° |
| β | 107.653 ± 0.003° |
| γ | 90° |
| Cell volume | 1061.29 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1481 |
| Weighted residual factors for all reflections included in the refinement | 0.1565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281629 (current) | 2023-03-05 | cif/ Adding structures of 1568592 via cif-deposit CGI script. |
1568592.cif |
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Users of the data should acknowledge the original authors of the
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