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CIF Information Card
Information card for 7151750
7151749 << 7151750 >> 7151751Preview
|
Coordinates |
7151750.cif |
Structure parameters
| Formula | - C11 H4 F3 N S - |
| Calculated formula | - C11 H4 F3 N S - |
| Title of publication | Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides. |
| Authors of publication | Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 2294 - 2305 |
| a | 7.223 ± 0.0008 Å |
| b | 7.9584 ± 0.0009 Å |
| c | 9.1866 ± 0.001 Å |
| α | 100.979 ± 0.002° |
| β | 97.143 ± 0.002° |
| γ | 113.863 ± 0.002° |
| Cell volume | 462.01 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0401 |
| Residual factor for observed reflections | 0.0343 |
| Weighted residual factors for the observed reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for observed reflections | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |