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Information card for entry 7242512
Preview
| Coordinates | 7242512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 Cl N O4 S |
|---|---|
| Calculated formula | C25 H22 Cl N O4 S |
| SMILES | Clc1ccc(N2c3ccccc3S(c3ccccc23)=C(C(=O)OCC)C(=O)OCC)cc1 |
| Title of publication | Continuous-flow electro-oxidative coupling of sulfides with activated methylene compounds leading to sulfur ylides |
| Authors of publication | Liu, Chengkou; Lin, Yang; Cai, Chen; Yuan, Chengcheng; Fang, Zheng; Guo, Kai |
| Journal of publication | Green Chemistry |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 8 |
| Pages of publication | 2956 - 2961 |
| a | 12.3598 ± 0.0005 Å |
| b | 12.8606 ± 0.0005 Å |
| c | 15.4574 ± 0.0006 Å |
| α | 81.976 ± 0.001° |
| β | 75.455 ± 0.001° |
| γ | 70.669 ± 0.001° |
| Cell volume | 2239.9 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1813 |
| Weighted residual factors for all reflections included in the refinement | 0.203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264911 (current) | 2021-05-05 | cif/ Updating files of 7242512 Original log message: Adding full bibliography for 7242512.cif. |
7242512.cif |
| 263286 | 2021-03-24 | cif/ Adding structures of 7242512 via cif-deposit CGI script. |
7242512.cif |
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Users of the data should acknowledge the original authors of the
structural data.