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Information card for entry 1573263
Preview
| Coordinates | 1573263.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3,5,6-Trichloropyridin-2-ol |
|---|---|
| Formula | C5 H2 Cl3 N O |
| Calculated formula | C5 H2 Cl3 N O |
| Title of publication | 3,5,6-Trichloropyridin-2-ol |
| Authors of publication | Vaughn, Tashonda M.; Soheil, Saneei; Ogundele, Olalekan M.; Fronczek, Frank R.; Uppu, Rao M. |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 11 |
| a | 6.1616 ± 0.0003 Å |
| b | 22.3074 ± 0.001 Å |
| c | 5.0396 ± 0.0002 Å |
| α | 90° |
| β | 99.356 ± 0.001° |
| γ | 90° |
| Cell volume | 683.47 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.325 |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296088 (current) | 2024-11-23 | cif/ Adding structures of 1573263 via cif-deposit CGI script. |
1573263.cif |
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Users of the data should acknowledge the original authors of the
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