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CIF Information Card
Information card for 4107182
4107181 << 4107182 >> 4107183Preview
|
Coordinates |
4107182.cif |
Structure parameters
| Formula | - C17 H12 F N O2 S - |
| Calculated formula | - C17 H12 F N O2 S - |
| Title of publication | Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines |
| Authors of publication | Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 19298 - 19301 |
| a | 11.6399 ± 0.0004 Å |
| b | 6.7536 ± 0.0002 Å |
| c | 17.8463 ± 0.0007 Å |
| α | 90° |
| β | 92.162 ± 0.002° |
| γ | 90° |
| Cell volume | 1401.92 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/a 1 |
| Hall symmetry space group | -P 2yab |
| Residual factor for all reflections | 0.0582 |
| Residual factor for observed reflections | 0.0403 |
| Weighted residual factors for the observed reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for observed reflections | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |