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Information card for entry 1565819
Preview
| Coordinates | 1565819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 O3 |
|---|---|
| Calculated formula | C24 H24 O3 |
| Title of publication | Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation |
| Authors of publication | Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 4 |
| Pages of publication | 1003 - 1008 |
| a | 6.0869 ± 0.0003 Å |
| b | 17.6346 ± 0.0009 Å |
| c | 17.8806 ± 0.0009 Å |
| α | 90° |
| β | 92.23 ± 0.003° |
| γ | 90° |
| Cell volume | 1917.85 ± 0.17 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0778 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1896 |
| Weighted residual factors for all reflections included in the refinement | 0.207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272583 (current) | 2022-02-04 | cif/ Updating files of 1565818, 1565819, 1565820 Original log message: Adding full bibliography for 1565818--1565820.cif. |
1565819.cif |
| 271545 | 2021-12-21 | cif/ Adding structures of 1565818, 1565819, 1565820 via cif-deposit CGI script. |
1565819.cif |
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Users of the data should acknowledge the original authors of the
structural data.