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Information card for entry 7155710
Preview
| Coordinates | 7155710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 F3 N3 O |
|---|---|
| Calculated formula | C13 H12 F3 N3 O |
| SMILES | c1(ccc(cc1)C#N)/C(=N\N1CCOCC1)C(F)(F)F |
| Title of publication | Visible-light mediated directed perfluoroalkylation of hydrazones |
| Authors of publication | Ji, Heng; Ni, Hui-qiong; Zhi, Peng; Xi, Zi-wei; Wang, Wei; Shi, Jian-jun; Shen, Yong-miao |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 8.2713 ± 0.0011 Å |
| b | 15.4059 ± 0.0017 Å |
| c | 10.6562 ± 0.0014 Å |
| α | 90° |
| β | 100.751 ± 0.004° |
| γ | 90° |
| Cell volume | 1334.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.106 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197960 (current) | 2017-06-20 | cif/ Adding structures of 7155710, 7155711 via cif-deposit CGI script. |
7155710.cif |
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Users of the data should acknowledge the original authors of the
structural data.