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Information card for entry 2239616
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| Coordinates | 2239616.cif |
|---|---|
| Structure factors | 2239616.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Diethyl (<i>E</i>)-2,3-bis[(<i>E</i>)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]but-2-enedioate |
|---|---|
| Formula | C24 H28 N4 O4 |
| Calculated formula | C24 H28 N4 O4 |
| SMILES | CCOC(=O)C(=C(C(=O)OCC)\C=N\N(c1ccccc1)C)/C=N/N(c1ccccc1)C |
| Title of publication | Diethyl (<i>E</i>)-2,3-bis[(<i>E</i>)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]but-2-enedioate |
| Authors of publication | Liu, Peng; Yuan, Libin; Song, Xiuqing; Yan, Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o723 |
| a | 15.922 ± 0.003 Å |
| b | 8.0335 ± 0.0016 Å |
| c | 18.655 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2386.1 ± 0.8 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239616.cif 2239616.hkl |
| 181315 | 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 2/23/96. |
2239616.cif 2239616.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. |
2239616.cif 2239616.hkl |
| 115033 | 2014-06-02 | cif/ hkl/ Adding structures of 2239616 via cif-deposit CGI script. |
2239616.cif 2239616.hkl |
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