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Information card for entry 7063649
Preview
| Coordinates | 7063649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H19 N O3 S |
|---|---|
| Calculated formula | C18 H19 N O3 S |
| Title of publication | Practical synthesis of thio-cotarnine analogues |
| Authors of publication | Behera, Pradyota Kumar; Pradhan, Amit Kumar; Rout, Laxmidhar |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| Journal volume | 49 |
| Journal issue | 10 |
| Pages of publication | 4119 - 4123 |
| a | 10.9365 ± 0.0005 Å |
| b | 7.9877 ± 0.0003 Å |
| c | 19.0534 ± 0.0009 Å |
| α | 90° |
| β | 90.804 ± 0.002° |
| γ | 90° |
| Cell volume | 1664.29 ± 0.13 Å3 |
| Cell temperature | 299 K |
| Ambient diffraction temperature | 299 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 | 0.084 |
| Residual factor for significantly intense reflections | 0.0739 |
| Weighted residual factors for significantly intense reflections | 0.173 |
| Weighted residual factors for all reflections included in the refinement | 0.1827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.251 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298991 (current) | 2025-04-05 | cif/ Updating files of 7063649 Original log message: Adding full bibliography for 7063649.cif. |
7063649.cif |
| 297695 | 2025-02-12 | cif/ Adding structures of 7063649 via cif-deposit CGI script. |
7063649.cif |
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Users of the data should acknowledge the original authors of the
structural data.