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Information card for entry 7156925
Preview
| Coordinates | 7156925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H10 I N O |
|---|---|
| Calculated formula | C12 H10 I N O |
| Title of publication | The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration. |
| Authors of publication | Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 28 |
| Pages of publication | 6809 - 6820 |
| a | 14.336 ± 0.007 Å |
| b | 4.975 ± 0.002 Å |
| c | 16.193 ± 0.008 Å |
| α | 90° |
| β | 106.346 ± 0.013° |
| γ | 90° |
| Cell volume | 1108.2 ± 0.9 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 | 0.1149 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156925.cif |
| 225031 | 2019-11-08 | cif/ Updating files of 7156924, 7156925 Original log message: Adding full bibliography for 7156924--7156925.cif. |
7156925.cif |
| 216097 | 2019-06-19 | cif/ Adding structures of 7156924, 7156925 via cif-deposit CGI script. |
7156925.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.