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Information card for entry 1558464
Preview
| Coordinates | 1558464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 F O2 |
|---|---|
| Calculated formula | C16 H14 F O2 |
| Title of publication | Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls |
| Authors of publication | Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 5.6436 ± 0.0001 Å |
| b | 36.318 ± 0.0005 Å |
| c | 6.6768 ± 0.0001 Å |
| α | 90° |
| β | 107.69 ± 0.002° |
| γ | 90° |
| Cell volume | 1303.79 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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 |
|---|---|---|---|
| 253646 (current) | 2020-07-02 | cif/ Adding structures of 1558464, 1558465, 1558466, 1558467 via cif-deposit CGI script. |
1558464.cif |
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Users of the data should acknowledge the original authors of the
structural data.