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Information card for entry 7052583
Preview
| Coordinates | 7052583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (E,E)-1-(2-(4-nitrophenyl)ethenyl)-4-(2-(3,4,5- trimethoxyphenyl)ethenyl)benzene |
|---|---|
| Chemical name | (E,E)-1-[2-(4-nitrophenyl)ethenyl]-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene |
| Formula | C25 H23 N O5 |
| Calculated formula | C25 H23 N O5 |
| SMILES | c1(ccc(cc1)N(=O)=O)/C=C/c1ccc(cc1)/C=C/c1cc(c(c(c1)OC)OC)OC |
| Title of publication | Asymmetrically substituted distyrylbenzenes and their polar crystal structures |
| Authors of publication | Collas, Alain; Borger, Roeland De; Amanova, Tatyana; Vande Velde, Christophe M. L.; Baeke, Jan K.; Dommisse, Roger; Alsenoy, Christian Van; Blockhuys, Frank |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 3 |
| Pages of publication | 649 |
| a | 10.221 ± 0.002 Å |
| b | 15.239 ± 0.003 Å |
| c | 15.762 ± 0.004 Å |
| α | 117.42 ± 0.02° |
| β | 92.26 ± 0.02° |
| γ | 93.52 ± 0.02° |
| Cell volume | 2168.8 ± 0.9 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1854 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.1858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180079 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25. |
7052583.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052583.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052583.cif |
| 14960 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052582, 7052583, 7052584, 7052585 via cif-deposit CGI script. |
7052583.cif |
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