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Information card for entry 7245623
Preview
| Coordinates | 7245623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12 N2 O3 S |
|---|---|
| Calculated formula | C11 H12 N2 O3 S |
| SMILES | S1(=O)(=O)N=C(N2CCOCC2)c2c1cccc2 |
| Title of publication | Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines |
| Authors of publication | Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming |
| Journal of publication | Green Chemistry |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 21 |
| Pages of publication | 8377 - 8385 |
| a | 8.0147 ± 0.0002 Å |
| b | 8.1452 ± 0.0002 Å |
| c | 9.4761 ± 0.0002 Å |
| α | 94.6 ± 0.002° |
| β | 107.839 ± 0.002° |
| γ | 107.022 ± 0.002° |
| Cell volume | 553.18 ± 0.03 Å3 |
| Cell temperature | 295.12 ± 0.1 K |
| Ambient diffraction temperature | 295.12 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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 |
|---|---|---|---|
| 278993 (current) | 2022-11-07 | cif/ Updating files of 7245620, 7245621, 7245622, 7245623, 7245624, 7245625 Original log message: Adding full bibliography for 7245620--7245625.cif. |
7245623.cif |
| 278374 | 2022-10-06 | cif/ Adding structures of 7245620, 7245621, 7245622, 7245623, 7245624, 7245625 via cif-deposit CGI script. |
7245623.cif |
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Users of the data should acknowledge the original authors of the
structural data.