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Information card for entry 7063078
Preview
| Coordinates | 7063078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H11 N O4 S |
|---|---|
| Calculated formula | C11 H11 N O4 S |
| SMILES | S(=O)(=O)(N1C(=O)CCC1=O)c1ccc(C)cc1 |
| Title of publication | An efficient and straightforward approach for accessing sulfonamide/N-sulfonyl succinic esters via potassium fluoride-promoted C–N cleavage of N-sulfonyl succinimide |
| Authors of publication | Lu, Zujia; Yang, Guangzao; Luo, Huaxin; Gao, Minjie; Irfan, Majeed; Wang, Fei; Zeng, Zhuo |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| Journal volume | 48 |
| Journal issue | 14 |
| Pages of publication | 6378 - 6385 |
| a | 7.6259 ± 0.0006 Å |
| b | 22.2673 ± 0.0017 Å |
| c | 12.9983 ± 0.0011 Å |
| α | 90° |
| β | 92.158 ± 0.003° |
| γ | 90° |
| Cell volume | 2205.7 ± 0.3 Å3 |
| Cell temperature | 149.81 K |
| Ambient diffraction temperature | 149.81 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 | 0.0465 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291021 (current) | 2024-04-05 | cif/ Updating files of 7063078 Original log message: Adding full bibliography for 7063078.cif. |
7063078.cif |
| 290369 | 2024-03-07 | cif/ Adding structures of 7063078 via cif-deposit CGI script. |
7063078.cif |
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Users of the data should acknowledge the original authors of the
structural data.