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Information card for entry 4127849
Preview
| Coordinates | 4127849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H19 F N2 O S |
|---|---|
| Calculated formula | C20 H19 F N2 O S |
| Title of publication | Stereodivergent Construction of Tertiary Fluorides in Vicinal Stereogenic Pairs by Allylic Substitution with Iridium and Copper Catalysts. |
| Authors of publication | He, Zhi-Tao; Jiang, Xingyu; Hartwig, John F. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 33 |
| Pages of publication | 13066 - 13073 |
| a | 6.30661 ± 0.00005 Å |
| b | 8.76884 ± 0.00007 Å |
| c | 31.4352 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1738.42 ± 0.02 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0279 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0672 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221020 (current) | 2019-11-02 | cif/ Adding structures of 4127849 via cif-deposit CGI script. |
4127849.cif |
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Users of the data should acknowledge the original authors of the
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