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Information card for entry 7160610
Preview
| Coordinates | 7160610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 I N3 O S |
|---|---|
| Calculated formula | C15 H10 I N3 O S |
| Title of publication | Microwave assisted Cobalt(III)-catalysed C-H aminocarbonylation reactions with isocyanates for the synthesis of thiophenecarboxamides |
| Authors of publication | Taboada-Seras, Borja; Santiago, Carlos; Sustatxa, Eider; Carral-Menoyo, Asier; Sotomayor, Nuria; Lete, Esther |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.55121 ± 0.00011 Å |
| b | 17.91412 ± 0.00018 Å |
| c | 10.37495 ± 0.00013 Å |
| α | 90° |
| β | 113.005 ± 0.0015° |
| γ | 90° |
| Cell volume | 1462.92 ± 0.03 Å3 |
| Cell temperature | 170 ± 0.1 K |
| Ambient diffraction temperature | 170 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0649 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1554 |
| Weighted residual factors for all reflections included in the refinement | 0.1583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300202 (current) | 2025-06-26 | cif/ Adding structures of 7160610 via cif-deposit CGI script. |
7160610.cif |
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Users of the data should acknowledge the original authors of the
structural data.