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Information card for entry 1550038
Preview
| Coordinates | 1550038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 F N O3 |
|---|---|
| Calculated formula | C12 H14 F N O3 |
| SMILES | c1(ccccc1)[C@@H]([C@H](C(=O)OC)F)NC(=O)C |
| Title of publication | A cheap metal for a challenging task: nickel-catalyzed highly diastereo- and enantioselective hydrogenation of tetrasubstituted fluorinated enamides |
| Authors of publication | Guan, Yu-Qing; Han, Zhengyu; Li, Xiuxiu; You, Cai; Tan, Xuefeng; Lv, Hui; Zhang, Xumu |
| Journal of publication | Chemical Science |
| Year of publication | 2018 |
| a | 8.9101 ± 0.0003 Å |
| b | 9.4553 ± 0.0003 Å |
| c | 14.4099 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1214 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0337 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211476 (current) | 2018-10-17 | cif/ Adding structures of 1550038 via cif-deposit CGI script. |
1550038.cif |
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