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Information card for entry 1554467
Preview
| Coordinates | 1554467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 N2 O6 S |
|---|---|
| Calculated formula | C19 H16 N2 O6 S |
| SMILES | S(=O)(=O)(N(c1oc(=O)cc(c1)C)Cc1ccccc1)c1ccc(N(=O)=O)cc1 |
| Title of publication | Cascade reaction involving Diels‒Alder cascade: modular synthesis of amino α-pyrones, indolines and anilines |
| Authors of publication | Shen, Yangyong; Wang, Chaorong; Chen, Wei; Cui, Sunliang |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 24 |
| Pages of publication | 3574 |
| a | 9.7218 ± 0.0008 Å |
| b | 7.7915 ± 0.0006 Å |
| c | 24.097 ± 0.002 Å |
| α | 90° |
| β | 99.734 ± 0.008° |
| γ | 90° |
| Cell volume | 1799 ± 0.3 Å3 |
| Cell temperature | 155.9 K |
| Ambient diffraction temperature | 155.9 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0666 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237256 (current) | 2019-11-24 | cif/ Adding structures of 1554467, 1554468, 1554469 via cif-deposit CGI script. |
1554467.cif |
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Users of the data should acknowledge the original authors of the
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