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Information card for entry 4127696
Preview
| Coordinates | 4127696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H27 F3 O |
|---|---|
| Calculated formula | C22 H27 F3 O |
| Title of publication | Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates. |
| Authors of publication | Huang, David; Olivieri, Diego; Sun, Yang; Zhang, Pengpeng; Newhouse, Timothy R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 41 |
| Pages of publication | 16249 - 16254 |
| a | 23.1927 ± 0.0009 Å |
| b | 6.0161 ± 0.0002 Å |
| c | 27.2923 ± 0.0009 Å |
| α | 90° |
| β | 100.314 ± 0.003° |
| γ | 90° |
| Cell volume | 3746.6 ± 0.2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220889 (current) | 2019-11-02 | cif/ Adding structures of 4127696 via cif-deposit CGI script. |
4127696.cif |
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Users of the data should acknowledge the original authors of the
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