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Information card for entry 1568385
Preview
| Coordinates | 1568385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 F N2 O4 |
|---|---|
| Calculated formula | C24 H21 F N2 O4 |
| SMILES | Fc1cc(C2=CC(C(=O)c3ccccc3)(C)CC32C(=O)N(C(=O)N(C3=O)C)C)ccc1 |
| Title of publication | Intramolecular trapping of spiro radicals to produce unusual cyclization products from usual migration substrates |
| Authors of publication | Zhang, Jingming; Liu, Chengkou; Qiao, Yaqi; Wei, Minghui; Guan, Wenjing; Mao, Ziren; Qin, Hong; Fang, Zheng; Guo, Kai |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 2461 - 2466 |
| a | 8.8055 ± 0.0007 Å |
| b | 11.8006 ± 0.0009 Å |
| c | 19.3349 ± 0.0015 Å |
| α | 90° |
| β | 91.749 ± 0.004° |
| γ | 90° |
| Cell volume | 2008.2 ± 0.3 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 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 | 0.0676 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1247 |
| Weighted residual factors for all reflections included in the refinement | 0.1382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281392 (current) | 2023-03-04 | cif/ Updating files of 1568385 Original log message: Adding full bibliography for 1568385.cif. |
1568385.cif |
| 280773 | 2023-02-03 | cif/ Adding structures of 1568385 via cif-deposit CGI script. |
1568385.cif |
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Users of the data should acknowledge the original authors of the
structural data.