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Information card for entry 7230582
Preview
| Coordinates | 7230582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H16 F3 N |
|---|---|
| Calculated formula | C20 H16 F3 N |
| Title of publication | Iron(iii)-catalyzed selective N–O bond cleavage to prepare tetrasubstituted pyridines and 3,5-disubstituted isoxazolines from N-vinyl-α,β-unsaturated ketonitrones |
| Authors of publication | Chen, Chun-Hua; Wu, Qing-Yan; Wei, Cui; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang |
| Journal of publication | Green Chemistry |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 12 |
| Pages of publication | 2722 |
| a | 8.585 ± 0.0015 Å |
| b | 9.869 ± 0.0017 Å |
| c | 10.0994 ± 0.0017 Å |
| α | 91.079 ± 0.003° |
| β | 103.819 ± 0.003° |
| γ | 90.728 ± 0.003° |
| Cell volume | 830.6 ± 0.2 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1308 |
| Residual factor for significantly intense reflections | 0.1156 |
| Weighted residual factors for significantly intense reflections | 0.3948 |
| Weighted residual factors for all reflections included in the refinement | 0.4283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.928 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230582.cif |
| 230125 | 2019-11-17 | cif/ Updating files of 7230581, 7230582 Original log message: Adding full bibliography for 7230581--7230582.cif. |
7230582.cif |
| 207679 | 2018-05-08 | cif/ Adding structures of 7230581, 7230582 via cif-deposit CGI script. |
7230582.cif |
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Users of the data should acknowledge the original authors of the
structural data.