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Information card for entry 4038847
Preview
| Coordinates | 4038847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 N O S2 |
|---|---|
| Calculated formula | C19 H19 N O S2 |
| Title of publication | Synthesis of 3,4-Dihydro-2H-1,3-thiazines from α-Enolic Dithioesters and 1,3,5-Triazinanes via a Formal (3 + 3) Annulation Reaction |
| Authors of publication | Cheng, Bin; Li, Hui; Hou, Jieping; Zhang, Xinping; He, Yixuan; Sun, Haiyan; Xu, Wei; Wang, Taimin; Zhai, Hongbin |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2020 |
| a | 9.4553 ± 0.0003 Å |
| b | 7.4507 ± 0.0003 Å |
| c | 24.9074 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1754.69 ± 0.11 Å3 |
| Cell temperature | 293.77 ± 0.1 K |
| Ambient diffraction temperature | 293.77 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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 |
|---|---|---|---|
| 256837 (current) | 2020-09-30 | cif/ Adding structures of 4038847 via cif-deposit CGI script. |
4038847.cif |
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Users of the data should acknowledge the original authors of the
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