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Information card for entry 1573799
Preview
| Coordinates | 1573799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 F N O2 |
|---|---|
| Calculated formula | C18 H16 F N O2 |
| Title of publication | One-pot Nazarov cyclization/oxidative 1,2-carbon rearrangement/Ritter reaction to access 5-quaternary-4-amidocyclopent-2-enones and 2-quaternary-3-amidoindanones. |
| Authors of publication | Hu, Yue-Hong; Chen, Yu-Ting; He, Zhi-Juan; Gan, Zhang-Yan; Zhang, Ling-Hui; Xi, Wen-Jie; Li, Baosheng; Zhang, Fu-Min |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 18 |
| Pages of publication | 3720 - 3723 |
| a | 8.35635 ± 0.00009 Å |
| b | 20.16774 ± 0.00019 Å |
| c | 9.47069 ± 0.0001 Å |
| α | 90° |
| β | 111.53 ± 0.0012° |
| γ | 90° |
| Cell volume | 1484.72 ± 0.03 Å3 |
| Cell temperature | 271.7 ± 0.3 K |
| Ambient diffraction temperature | 271.7 ± 0.3 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298065 (current) | 2025-03-04 | cif/ Updating files of 1573796, 1573797, 1573798, 1573799, 1573800 Original log message: Adding full bibliography for 1573796--1573800.cif. |
1573799.cif |
| 297526 | 2025-01-30 | cif/ Adding structures of 1573796, 1573797, 1573798, 1573799, 1573800 via cif-deposit CGI script. |
1573799.cif |
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Users of the data should acknowledge the original authors of the
structural data.