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Information card for entry 1564888
Preview
| Coordinates | 1564888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 F2 O Si |
|---|---|
| Calculated formula | C21 H18 F2 O Si |
| SMILES | [Si]1(Oc2c(CCC1)cc(F)c(F)c2)(c1ccccc1)c1ccccc1 |
| Title of publication | Silacyclization through Palladium-Catalyzed Intermolecular Silicon-Based C(sp2)−C(sp3) Cross-Coupling |
| Authors of publication | Qin, Ying; Li, Lianghui; Liang, Jin-Yuan; Li, Kailong; Zhao, Dongbing |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 7.4472 ± 0.0003 Å |
| b | 9.0684 ± 0.0004 Å |
| c | 14.4362 ± 0.0008 Å |
| α | 74.215 ± 0.004° |
| β | 89.828 ± 0.004° |
| γ | 68.877 ± 0.004° |
| Cell volume | 870.22 ± 0.08 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1034 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269855 (current) | 2021-10-08 | cif/ Adding structures of 1564888 via cif-deposit CGI script. |
1564888.cif |
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Users of the data should acknowledge the original authors of the
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