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Information card for entry 7125871
Preview
| Coordinates | 7125871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H17 N O2 S |
|---|---|
| Calculated formula | C18 H17 N O2 S |
| Title of publication | Ruthenium(ii)-catalyzed intermolecular annulation of alkenyl sulfonamides with alkynes: access to bicyclic sultams. |
| Authors of publication | Qian, Lei-Lei; Min, Xiang-Ting; Hu, Yan-Cheng; Shen, Bing-Xue; Yang, Sa-Na; Wan, Boshun; Chen, Qing-An |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 17 |
| Pages of publication | 2614 - 2617 |
| a | 14.5594 ± 0.0006 Å |
| b | 12.0737 ± 0.0005 Å |
| c | 18.6579 ± 0.0008 Å |
| α | 90° |
| β | 103.921 ± 0.004° |
| γ | 90° |
| Cell volume | 3183.5 ± 0.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0561 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125871.cif |
| 248809 | 2020-03-05 | cif/ Updating files of 7125871 Original log message: Adding full bibliography for 7125871.cif. |
7125871.cif |
| 247235 | 2020-01-25 | cif/ Adding structures of 7125871 via cif-deposit CGI script. |
7125871.cif |
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Users of the data should acknowledge the original authors of the
structural data.