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Information card for entry 2204559
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| Coordinates | 2204559.cif |
|---|---|
| Structure factors | 2204559.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-[(E)-2-Phenylethen-1-yl]quinolin-8-ol |
|---|---|
| Formula | C17 H13 N O |
| Calculated formula | C17 H13 N O |
| SMILES | Oc1c2ncccc2c(cc1)/C=C/c1ccccc1 |
| Title of publication | 5-[(<i>E</i>)-2-Phenylethen-1-yl]quinolin-8-ol |
| Authors of publication | Bjernemose, Jens K.; Less, Robert J.; Raithby, Paul R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 11 |
| Pages of publication | o1981 - o1983 |
| a | 11.928 ± 0.0001 Å |
| b | 11.012 ± 0.0001 Å |
| c | 28.17 ± 0.0003 Å |
| α | 90° |
| β | 92.654 ± 0.001° |
| γ | 90° |
| Cell volume | 3696.19 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0981 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.