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Information card for entry 8107672
Preview
| Coordinates | 8107672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 N4 |
|---|---|
| Calculated formula | C26 H26 N4 |
| SMILES | CCN(CC)c1ccc(cc1)/C=C/C1=CC(=C(C#N)C#N)c2ccccc2N1CC |
| Title of publication | Crystal structure of (E)-2-(2-(4-(diethylamino)styryl)-1-ethyl-1,4-dihydroquinolin-4-yl) malononitrile, C26H26N4 |
| Authors of publication | Sun, Cheng-Tao; Li, Qin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1103 - 1104 |
| a | 16.565 ± 0.002 Å |
| b | 17.468 ± 0.002 Å |
| c | 7.5778 ± 0.001 Å |
| α | 90° |
| β | 94.551 ± 0.004° |
| γ | 90° |
| Cell volume | 2185.8 ± 0.5 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300.02 K |
| Number of distinct elements | 3 |
| 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 | 0.1349 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1508 |
| Weighted residual factors for all reflections included in the refinement | 0.183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287772 (current) | 2023-11-24 | cif/ Adding structures of 8107672 via cif-deposit CGI script. |
8107672.cif |
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Users of the data should acknowledge the original authors of the
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