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Information card for entry 2239430
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| Coordinates | 2239430.cif |
|---|---|
| Structure factors | 2239430.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-[(2<i>E</i>,3<i>E</i>)-Butane-2,3-diylidene]bis[4-fluoro-2-(1-phenylethyl)aniline] |
|---|---|
| Formula | C32 H30 F2 N2 |
| Calculated formula | C32 H30 F2 N2 |
| SMILES | Fc1ccc(c(c1)[C@H](c1ccccc1)C)/N=C(/C(=N/c1ccc(cc1[C@@H](c1ccccc1)C)F)C)C |
| Title of publication | <i>N</i>,<i>N</i>'-[(2<i>E</i>,3<i>E</i>)-Butane-2,3-diylidene]bis[4-fluoro-2-(1-phenylethyl)aniline] |
| Authors of publication | Wei, Juanjuan; She, Houde; Shi, Lijun; Lei, Ziqiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o275 |
| a | 11.5335 ± 0.0011 Å |
| b | 9.5024 ± 0.0012 Å |
| c | 12.1318 ± 0.0014 Å |
| α | 90° |
| β | 91.66 ± 0.011° |
| γ | 90° |
| Cell volume | 1329 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.047 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239430.cif 2239430.hkl |
| 181313 | 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 2/23/94. |
2239430.cif 2239430.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. |
2239430.cif 2239430.hkl |
| 110713 | 2014-04-19 | cif/ hkl/ Adding structures of 2239430 via cif-deposit CGI script. |
2239430.cif 2239430.hkl |
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