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Information card for entry 2244122
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| Coordinates | 2244122.cif |
|---|---|
| Structure factors | 2244122.hkl |
| Original IUCr paper | HTML |
| Chemical name | 8-Hexyloxy-2-[(<i>Z</i>)-2-(naphthalen-2-yl)ethenyl]quinoline |
|---|---|
| Formula | C27 H27 N O |
| Calculated formula | C27 H27 N O |
| SMILES | O(CCCCCC)c1c2nc(/C=C\c3cc4c(cccc4)cc3)ccc2ccc1 |
| Title of publication | Crystal structure of 8-hexyloxy-2-[(<i>Z</i>)-2-(naphthalen-2-yl)ethenyl]quinoline |
| Authors of publication | Liu, Xiaozhou; Wang, Lu; Feng, Ying; Cui, Deliang; Liu, Zhi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 8 |
| a | 14.416 ± 0.003 Å |
| b | 5.8569 ± 0.001 Å |
| c | 25.354 ± 0.005 Å |
| α | 90° |
| β | 96.116 ± 0.003° |
| γ | 90° |
| Cell volume | 2128.5 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1086 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1404 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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