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Information card for entry 8106782
Preview
| Coordinates | 8106782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H28 N2 O2 |
|---|---|
| Calculated formula | C32 H28 N2 O2 |
| SMILES | n1c(/C=C/c2cc(OCC)c(cc2OCC)/C=C/c2nc3c(cc2)cccc3)ccc2c1cccc2 |
| Title of publication | Crystal structure of 2,5-diethoxy-1,4-bis[2-(quinoline)ethenyl]benzene, C32H28N2O2 |
| Authors of publication | Liu, Zhao-Di; Sun, Fei; Wang, Fan; Xu, Hua-Jie |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 49 - 51 |
| a | 10.1291 ± 0.001 Å |
| b | 25.731 ± 0.003 Å |
| c | 10.2395 ± 0.001 Å |
| α | 90° |
| β | 106.521 ± 0.001° |
| γ | 90° |
| Cell volume | 2558.6 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0694 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280887 (current) | 2023-02-14 | cif/ Adding structures of 8106782 via cif-deposit CGI script. |
8106782.cif |
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Users of the data should acknowledge the original authors of the
structural data.