Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245622
Preview
| Coordinates | 7245622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12 N2 O3 S |
|---|---|
| Calculated formula | C11 H12 N2 O3 S |
| SMILES | S1(=O)(=O)Oc2c(C(=N1)N1CCCC1)cccc2 |
| 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 | 7.9773 ± 0.0004 Å |
| b | 8.6323 ± 0.0004 Å |
| c | 8.8553 ± 0.0004 Å |
| α | 92.357 ± 0.004° |
| β | 103.812 ± 0.004° |
| γ | 111.69 ± 0.004° |
| Cell volume | 544.55 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.044 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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. |
7245622.cif |
| 278374 | 2022-10-06 | cif/ Adding structures of 7245620, 7245621, 7245622, 7245623, 7245624, 7245625 via cif-deposit CGI script. |
7245622.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.