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Information card for entry 1542990
Preview
| Coordinates | 1542990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H9 F3 O S |
|---|---|
| Calculated formula | C14 H9 F3 O S |
| SMILES | S(C(=O)c1ccccc1)c1ccc(cc1)C(F)(F)F |
| Title of publication | Ligand-Controlled Divergent Cross-Coupling Involving Organosilicon Compounds for Thioether and Thioester Synthesis. |
| Authors of publication | Qiao, Zongjun; Jiang, Xuefeng |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 7 |
| Pages of publication | 1550 - 1553 |
| a | 5.701 ± 0.002 Å |
| b | 14.172 ± 0.005 Å |
| c | 16.101 ± 0.006 Å |
| α | 90° |
| β | 96.143 ± 0.012° |
| γ | 90° |
| Cell volume | 1293.4 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1833 |
| Residual factor for significantly intense reflections | 0.0851 |
| Weighted residual factors for significantly intense reflections | 0.2112 |
| Weighted residual factors for all reflections included in the refinement | 0.284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181380 (current) | 2016-04-04 | cif/ Adding structures of 1542990 via cif-deposit CGI script. |
1542990.cif |
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Users of the data should acknowledge the original authors of the
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