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Information card for entry 1542344
Preview
| Coordinates | 1542344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H8 F4 N2 O2 |
|---|---|
| Calculated formula | C10 H8 F4 N2 O2 |
| SMILES | FC1(F)n2c(ncc2)[C@@]2(OC(=O)C[C@@H]2C1(F)F)C.FC1(F)n2c(ncc2)[C@]2(OC(=O)C[C@H]2C1(F)F)C |
| Title of publication | Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines. |
| Authors of publication | Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 4 |
| Pages of publication | 756 - 759 |
| a | 20.0066 ± 0.0009 Å |
| b | 20.0066 ± 0.0009 Å |
| c | 5.3686 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2148.86 ± 0.18 Å3 |
| Cell temperature | 106 ± 2 K |
| Ambient diffraction temperature | 106 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1542344.cif |
| 177432 | 2016-03-04 | cif/ Updating files of 1542341, 1542342, 1542343, 1542344 Original log message: Adding full bibliography for 1542341--1542344.cif. |
1542344.cif |
| 175247 | 2016-01-29 | cif/ Adding structures of 1542344 via cif-deposit CGI script. |
1542344.cif |
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Users of the data should acknowledge the original authors of the
structural data.