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Information card for entry 2239097
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| Coordinates | 2239097.cif |
|---|---|
| Structure factors | 2239097.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[(<i>E</i>)-2-(4-Ethoxyphenyl)ethenyl]-1-methylquinolinium 4-fluorobenzenesulfonate |
|---|---|
| Formula | C26 H24 F N O4 S |
| Calculated formula | C26 H24 F N O4 S |
| Title of publication | 2-[(<i>E</i>)-2-(4-Ethoxyphenyl)ethenyl]-1-methylquinolinium 4-fluorobenzenesulfonate |
| Authors of publication | Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Ruanwas, Pumsak; Quah, Ching Kheng; Chantrapromma, Suchada |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o11 - o12 |
| a | 6.4366 ± 0.0003 Å |
| b | 9.8909 ± 0.0005 Å |
| c | 34.3628 ± 0.0015 Å |
| α | 90° |
| β | 95.102 ± 0.002° |
| γ | 90° |
| Cell volume | 2179 ± 0.18 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1382 |
| Weighted residual factors for all reflections included in the refinement | 0.1538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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