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Information card for entry 7160192
Preview
| Coordinates | 7160192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H13 N3 O S Se |
|---|---|
| Calculated formula | C13 H13 N3 O S Se |
| Title of publication | Electrochemical one-pot cascade synthesis of thio(seleno)cyanato-substituted thiazolidine-2-imines without external electrolyte |
| Authors of publication | Yu, Xiao; Hao, Liqiang; Liu, xian; Jin, Shengkui; Li, Yangchen; Liu, Yiping; Ji, Yafei |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 23.722 ± 0.003 Å |
| b | 7.1939 ± 0.0008 Å |
| c | 8.2904 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1414.8 ± 0.3 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295683 (current) | 2024-10-31 | cif/ Adding structures of 7160192 via cif-deposit CGI script. |
7160192.cif |
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Users of the data should acknowledge the original authors of the
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