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Information card for entry 7154975
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| Coordinates | 7154975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (E)-2,3-diphenyl-N-tosylbut-2-enamide |
|---|---|
| Formula | C23 H21 N O3 S |
| Calculated formula | C23 H21 N O3 S |
| SMILES | S(=O)(=O)(NC(=O)/C(=C(c1ccccc1)\C)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Copper-catalyzed three-component cascade reaction of alkynes, sulfonyl azides and simple aldehydes/ketones. |
| Authors of publication | Hu, Yuanyuan; Zhou, Bingwei; Wang, Congyang |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 3022 - 3026 |
| a | 9.71 ± 0.003 Å |
| b | 19.2 ± 0.005 Å |
| c | 22.065 ± 0.006 Å |
| α | 90° |
| β | 97.104 ± 0.004° |
| γ | 90° |
| Cell volume | 4082 ± 2 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 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 | 0.1116 |
| Residual factor for significantly intense reflections | 0.087 |
| Weighted residual factors for significantly intense reflections | 0.1337 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7154975.cif |
| 181796 | 2016-04-05 | cif/ Updating files of 7154975, 7154976 Original log message: Adding full bibliography for 7154975--7154976.cif. |
7154975.cif |
| 176496 | 2016-02-17 | cif/ Adding structures of 7154975, 7154976 via cif-deposit CGI script. |
7154975.cif |
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Users of the data should acknowledge the original authors of the
structural data.