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Information card for entry 1544818
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| Coordinates | 1544818.cif |
|---|---|
| Structure factors | 1544818.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenyl)ethenyl]pyridine |
|---|---|
| Formula | C16 H16 N2 O3 |
| Calculated formula | C16 H16 N2 O3 |
| SMILES | O=N(=O)c1cc(ccc1)/C=C/c1ncc(c(OC)c1C)C |
| Title of publication | (<i>E</i>)-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenyl)ethenyl]pyridine |
| Authors of publication | El Bakri, Youness; Ramli, Youssef; Harmaoui, Abdallah; Sebhaoui, Jihad; Essassi, El Mokhtar; Mague, Joel T. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 12 |
| Pages of publication | x161966 |
| a | 23.3174 ± 0.0007 Å |
| b | 8.2979 ± 0.0002 Å |
| c | 7.226 ± 0.0002 Å |
| α | 90° |
| β | 90.899 ± 0.001° |
| γ | 90° |
| Cell volume | 1397.95 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0457 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189281 (current) | 2016-12-21 | cif/ hkl/ Adding structures of 1544818 via cif-deposit CGI script. |
1544818.cif 1544818.hkl |
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Users of the data should acknowledge the original authors of the
structural data.