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Information card for entry 1546517
Preview
| Coordinates | 1546517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DBXS |
|---|---|
| Formula | C17 H19 B F6 S |
| Calculated formula | C17 H19 B F6 S |
| SMILES | [B](F)(F)(F)[F-].c1(cc(ccc1C)C)[S+](c1cc(ccc1C)C)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 | 13.8754 ± 0.0011 Å |
| b | 14.2531 ± 0.0012 Å |
| c | 17.5717 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3475.1 ± 0.5 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| 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. |
1546517.cif |
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