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Information card for entry 7160806
Preview
| Coordinates | 7160806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N O2 S |
|---|---|
| Calculated formula | C19 H21 N O2 S |
| Title of publication | TBAI (tetrabutylammonium iodide) Promoted Synthesis of Thioenamines through the C-S Bond Formation Starting from Enaminones and Thiosulfonates |
| Authors of publication | Chang, Meng-Ran; Wu, Yu-Xi; Li, He-Yi; Li, Yao-Yao; Cui, Jing-Jing; Ruan, Chi; Guan, Zhi-Peng; Han, Qing-Wen; Dong, Zhi-Bing |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 18.752 ± 0.004 Å |
| b | 11.319 ± 0.002 Å |
| c | 8.2409 ± 0.0019 Å |
| α | 90° |
| β | 95.542 ± 0.006° |
| γ | 90° |
| Cell volume | 1741 ± 0.6 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.1461 |
| Residual factor for significantly intense reflections | 0.0709 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302946 (current) | 2025-10-17 | cif/ Adding structures of 7160806 via cif-deposit CGI script. |
7160806.cif |
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Users of the data should acknowledge the original authors of the
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