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Information card for entry 2300127
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| Coordinates | 2300127.cif |
|---|---|
| Structure factors | 2300127.hkl |
| Original paper (by DOI) | HTML |
| Formula | C20 H14 N2 O |
|---|---|
| Calculated formula | C20 H14 N2 O |
| SMILES | Oc1c2nc(ccc2ccc1)/C=C/c1ccnc2ccccc12 |
| Title of publication | Synthesis, crystal structure and biological activity of 2-[2-(quinolin-2-yl)vinyl]-8-hydroxyquinoline and 2-[2-(quinolin-4-yl)vinyl]-8-hydroxyquinoline |
| Authors of publication | Zeng, He-Ping; Wang, Ting-Ting; Xu, Dan-Feng; Cai, Yue-Peng; Chen, Dong-Feng |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2007 |
| Journal volume | 40 |
| Journal issue | 3 |
| Pages of publication | 471 - 475 |
| a | 10.724 ± 0.0006 Å |
| b | 8.9019 ± 0.0005 Å |
| c | 16.1894 ± 0.0008 Å |
| α | 90° |
| β | 102.039 ± 0.004° |
| γ | 90° |
| Cell volume | 1511.51 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0688 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 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
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