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Information card for entry 7159860
Preview
| Coordinates | 7159860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 N4 S |
|---|---|
| Calculated formula | C12 H10 N4 S |
| Title of publication | Synthetic access to diverse thiazetidines <i>via</i> a one-pot microwave assisted telescopic approach and their interaction with biomolecules. |
| Authors of publication | Rao, Ramdas Nishanth; Das, Soumyadip; Jacob, Kezia; Alam, Mohammed Mujahid; Balamurali, M. M.; Chanda, Kaushik |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 16 |
| Pages of publication | 3249 - 3261 |
| a | 9.7029 ± 0.0007 Å |
| b | 10.6515 ± 0.0007 Å |
| c | 11.9141 ± 0.0008 Å |
| α | 77.212 ± 0.002° |
| β | 73.407 ± 0.002° |
| γ | 74.174 ± 0.002° |
| Cell volume | 1121.49 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0428 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291686 (current) | 2024-05-05 | cif/ Updating files of 7159860 Original log message: Adding full bibliography for 7159860.cif. |
7159860.cif |
| 290671 | 2024-03-27 | cif/ Adding structures of 7159860 via cif-deposit CGI script. |
7159860.cif |
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Users of the data should acknowledge the original authors of the
structural data.