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Information card for entry 7160802
Preview
| Coordinates | 7160802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H15 N3 O2 S |
|---|---|
| Calculated formula | C12 H15 N3 O2 S |
| Title of publication | A green and cascade synthesis of functionalized 2-sec.amino-thiophenes from ketene dithioacetals |
| Authors of publication | Chahal, Mohit; Shaw, Ranjay; Yadav, Pratik; Bhardwaj, Vishnu; Althagafi, Ismail; Pratap, Ramendra |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.9257 ± 0.0017 Å |
| b | 15.649 ± 0.012 Å |
| c | 9.9843 ± 0.0014 Å |
| α | 90° |
| β | 111.46 ± 0.018° |
| γ | 90° |
| Cell volume | 1297.9 ± 1.1 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0811 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1797 |
| Weighted residual factors for all reflections included in the refinement | 0.1968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302919 (current) | 2025-10-16 | cif/ Adding structures of 7160802 via cif-deposit CGI script. |
7160802.cif |
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Users of the data should acknowledge the original authors of the
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