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Information card for entry 1568131
Preview
| Coordinates | 1568131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-(4-cyanophenyl)-N-hydroxymethanesulfonamide |
|---|---|
| Formula | C8 H8 N2 O3 S |
| Calculated formula | C8 H8 N2 O3 S |
| Title of publication | EDA mediated S-N bond coupling of nitroarenes and sodium sulfinate salts. |
| Authors of publication | Lasso, Juan D.; Castillo-Pazos, Durbis J; Sim, Malcolm; Barroso-Flores, Joaquín; Li, Chao-Jun |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 3 |
| Pages of publication | 525 - 532 |
| a | 8.2861 ± 0.0015 Å |
| b | 5.4731 ± 0.001 Å |
| c | 20.821 ± 0.004 Å |
| α | 90° |
| β | 93.606 ± 0.005° |
| γ | 90° |
| Cell volume | 942.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283192 (current) | 2023-05-05 | cif/ Updating files of 1568131 Original log message: Adding full bibliography for 1568131.cif. |
1568131.cif |
| 279918 | 2022-12-16 | cif/ Adding structures of 1568131 via cif-deposit CGI script. |
1568131.cif |
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Users of the data should acknowledge the original authors of the
structural data.