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Information card for entry 1546516
Preview
| Coordinates | 1546516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12 F3 N O |
|---|---|
| Calculated formula | C11 H12 F3 N O |
| SMILES | C(C[C@H](c1ccc(cc1)F)NC(=O)C)(F)F |
| Title of publication | Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis |
| Authors of publication | Noto, Naoki; Koike, Takashi; Akita, Munetaka |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 5.0215 ± 0.0005 Å |
| b | 8.6681 ± 0.0009 Å |
| c | 12.6928 ± 0.0013 Å |
| α | 80.344 ± 0.001° |
| β | 83.072 ± 0.001° |
| γ | 88.4 ± 0.001° |
| Cell volume | 540.66 ± 0.1 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0211 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198613 (current) | 2017-07-11 | cif/ Adding structures of 1546516, 1546517 via cif-deposit CGI script. |
1546516.cif |
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Users of the data should acknowledge the original authors of the
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