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Information card for entry 8104778
Preview
| Coordinates | 8104778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 N2 O3 |
|---|---|
| Calculated formula | C24 H24 N2 O3 |
| SMILES | c1(ccccc1OCCOc1ccccc1N/C(C)=C\C(=O)c1ccccc1)N |
| Title of publication | The crystal structure of (Z)-3-((2-(2-(2-aminophenoxy)ethoxy)phenyl)amino)-1-phenylbut-2-en-1-one, C24H24N2O3 |
| Authors of publication | Zhang, Weilian; Zuo, Zhenyu; Yanhui, Chen; Bin, Liu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 3 |
| Pages of publication | 601 - 603 |
| a | 13.674 ± 0.003 Å |
| b | 7.39 ± 0.0014 Å |
| c | 20.862 ± 0.004 Å |
| α | 90° |
| β | 106.728 ± 0.007° |
| γ | 90° |
| Cell volume | 2018.9 ± 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 | 0.1313 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1538 |
| Weighted residual factors for all reflections included in the refinement | 0.1804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273778 (current) | 2022-03-18 | cif/ Adding structures of 8104778 via cif-deposit CGI script. |
8104778.cif |
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Users of the data should acknowledge the original authors of the
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