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Information card for entry 1560129
Preview
| Coordinates | 1560129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H19 N O3 S Se |
|---|---|
| Calculated formula | C22 H19 N O3 S Se |
| SMILES | [Se](c1ccccc1)C[C@H]1OC(=N\S(=O)(=O)c2ccc(cc2)C)/c2c1cccc2 |
| Title of publication | The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides |
| Authors of publication | Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 2299 - 2305 |
| a | 7.2473 ± 0.0001 Å |
| b | 12.2693 ± 0.0002 Å |
| c | 10.9251 ± 0.0001 Å |
| α | 90° |
| β | 90.353 ± 0.001° |
| γ | 90° |
| Cell volume | 971.43 ± 0.02 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560129.cif |
| 263614 | 2021-04-05 | cif/ Updating files of 1560129, 1560130 Original log message: Adding full bibliography for 1560129--1560130.cif. |
1560129.cif |
| 261126 | 2021-01-22 | cif/ Adding structures of 1560129, 1560130 via cif-deposit CGI script. |
1560129.cif |
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Users of the data should acknowledge the original authors of the
structural data.