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Information card for entry 7052584
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| Coordinates | 7052584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | (E,E)-1-(2-(4-nitrophenyl)ethenyl)-4-(2-(3,5- dimethoxyphenyl)ethenyl)benzene |
|---|---|
| Chemical name | (E,E)-1-[2-(4-nitrophenyl)ethenyl]-4-[2-(3,5-dimethoxyphenyl)ethenyl]benzene |
| Formula | C24 H21 N O4 |
| Calculated formula | C24 H21 N O4 |
| SMILES | c1(ccc(cc1)N(=O)=O)/C=C/c1ccc(cc1)/C=C/c1cc(cc(c1)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 | 7.219 ± 0.002 Å |
| b | 7.402 ± 0.002 Å |
| c | 18.163 ± 0.005 Å |
| α | 90° |
| β | 95.29 ± 0.03° |
| γ | 90° |
| Cell volume | 966.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0875 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1419 |
| Weighted residual factors for all reflections included in the refinement | 0.1752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7052584.cif |
| 180079 | 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. |
7052584.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052584.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052584.cif |
| 14960 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052582, 7052583, 7052584, 7052585 via cif-deposit CGI script. |
7052584.cif |
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