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Information card for entry 7120833
Preview
| Coordinates | 7120833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 Cl2 F N4 O |
|---|---|
| Calculated formula | C21 H19 Cl2 F N4 O |
| Title of publication | cis-Specific cyanofluorination of vinyl azides enabled by electron-donor-acceptor complexes: synthesis of α-azido-β-fluoronitriles |
| Authors of publication | Wu, Shu-Wei; Liu, Jia-Li; Liu, Feng |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 9.168 ± 0.005 Å |
| b | 26.759 ± 0.009 Å |
| c | 9.365 ± 0.003 Å |
| α | 90° |
| β | 108.96 ± 0.05° |
| γ | 90° |
| Cell volume | 2172.8 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.229 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.193 |
| Weighted residual factors for all reflections included in the refinement | 0.28 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202386 (current) | 2017-10-28 | cif/ Adding structures of 7120832, 7120833 via cif-deposit CGI script. |
7120833.cif |
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Users of the data should acknowledge the original authors of the
structural data.