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Information card for entry 2241113
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| Coordinates | 2241113.cif |
|---|---|
| Structure factors | 2241113.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-4,6-Dimethoxy-2-(4-methoxystyryl)-3-methylbenzaldehyde |
|---|---|
| Formula | C19 H20 O4 |
| Calculated formula | C19 H20 O4 |
| SMILES | c1(c(c(cc(c1C=O)OC)OC)C)/C=C/c1ccc(cc1)OC |
| Title of publication | Crystal structure of (<i>E</i>)-4,6-dimethoxy-2-(4-methoxystyryl)-3-methylbenzaldehyde |
| Authors of publication | Ahn, Seunghyun; Lim, Yoongho; Koh, Dongsoo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o771 |
| a | 11.3632 ± 0.0009 Å |
| b | 8.7159 ± 0.0007 Å |
| c | 16.2382 ± 0.0013 Å |
| α | 90° |
| β | 101.927 ± 0.002° |
| γ | 90° |
| Cell volume | 1573.5 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.1163 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.2223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241113.cif 2241113.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2241113.cif 2241113.hkl |
| 158366 | 2015-09-26 | cif/ hkl/ Adding structures of 2241113 via cif-deposit CGI script. |
2241113.cif 2241113.hkl |
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Users of the data should acknowledge the original authors of the
structural data.