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Information card for entry 2239004
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| Coordinates | 2239004.cif |
|---|---|
| Structure factors | 2239004.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7-Diethylamino-3-{(<i>E</i>)-4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]styryl}-2<i>H</i>-chromen-2-one |
|---|---|
| Formula | C28 H26 N2 O2 |
| Calculated formula | C28 H26 N2 O2 |
| SMILES | CCN(c1ccc2c(c1)oc(=O)c(c2)/C=C/c1ccc(cc1)/C=C/c1ccncc1)CC |
| Title of publication | 7-Diethylamino-3-{(<i>E</i>)-4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]styryl}-2<i>H</i>-chromen-2-one |
| Authors of publication | Zhou, Li-Ping; Long, Ling-Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o176 |
| a | 15.511 ± 0.003 Å |
| b | 8.4745 ± 0.0017 Å |
| c | 16.882 ± 0.007 Å |
| α | 90° |
| β | 97.73 ± 0.03° |
| γ | 90° |
| Cell volume | 2198.9 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1058 |
| Residual factor for significantly intense reflections | 0.0767 |
| Weighted residual factors for significantly intense reflections | 0.1527 |
| Weighted residual factors for all reflections included in the refinement | 0.1695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239004.cif 2239004.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239004.cif 2239004.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239004.cif 2239004.hkl |
| 104836 | 2014-03-11 | cif/ hkl/ Adding structures of 2239004 via cif-deposit CGI script. |
2239004.cif 2239004.hkl |
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Users of the data should acknowledge the original authors of the
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