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Information card for entry 1564690
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| Coordinates | 1564690.cif |
|---|---|
| Structure factors | 1564690.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-[(<i>E</i>)-({2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]\ benzylidene}amino)oxy]acetate |
|---|---|
| Formula | C22 H25 N O6 |
| Calculated formula | C22 H25 N O6 |
| SMILES | c1(cc(c(c(c1)OC)/C=N/OCC(=O)OCC)/C=C/c1ccc(cc1)OC)OC |
| Title of publication | Ethyl 2-[(<i>E</i>)-({2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]benzylidene}amino)oxy]acetate |
| Authors of publication | Sung, Jiha |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 9 |
| Pages of publication | x210950 |
| a | 11.3656 ± 0.0009 Å |
| b | 7.0636 ± 0.0005 Å |
| c | 26.035 ± 0.002 Å |
| α | 90° |
| β | 100.148 ± 0.003° |
| γ | 90° |
| Cell volume | 2057.4 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0545 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269207 (current) | 2021-09-18 | cif/ hkl/ Adding structures of 1564690 via cif-deposit CGI script. |
1564690.cif 1564690.hkl |
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Users of the data should acknowledge the original authors of the
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