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Information card for entry 2240519
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| Coordinates | 2240519.cif |
|---|---|
| Structure factors | 2240519.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (2<i>E</i>,3<i>E</i>)-<i>N</i>^2^,<i>N</i>^3^-Bis(3-ethyl-[1,1'-biphenyl]-4-yl)butane-2,3-diimine |
|---|---|
| Formula | C32 H32 N2 |
| Calculated formula | C32 H32 N2 |
| SMILES | c1(c2ccccc2)ccc(/N=C(/C(=N/c2ccc(c3ccccc3)cc2CC)/C)C)c(c1)CC |
| Title of publication | Crystal structure of (2<i>E</i>,3<i>E</i>)-<i>N</i>^2^,<i>N</i>^3^-bis(3-ethyl-[1,1'-biphenyl]-4-yl)butane-2,3-diimine |
| Authors of publication | Zhao, Yan; Yuan, Jianchao; Zhao, Jie; Zhao, Shenglan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | o251 - o252 |
| a | 9.622 ± 0.004 Å |
| b | 9.707 ± 0.005 Å |
| c | 14.666 ± 0.007 Å |
| α | 77.288 ± 0.005° |
| β | 86.934 ± 0.004° |
| γ | 74.736 ± 0.004° |
| Cell volume | 1289.1 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1383 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1864 |
| Weighted residual factors for all reflections included in the refinement | 0.2454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240519.cif 2240519.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240519.cif 2240519.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240519.cif 2240519.hkl |
| 134252 | 2015-03-22 | cif/ hkl/ Adding structures of 2240519 via cif-deposit CGI script. |
2240519.cif 2240519.hkl |
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Users of the data should acknowledge the original authors of the
structural data.