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Information card for entry 2240610
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| Coordinates | 2240610.cif |
|---|---|
| Structure factors | 2240610.hkl |
| Original IUCr paper | HTML |
| Common name | 1,2-Bis[(2-<i>tert</i>-butylphenyl)imino]ethane |
|---|---|
| Chemical name | 2-<i>tert</i>-Butyl-<i>N</i>-{2-[(2-<i>tert</i>-butylphenyl)imino]ethylidene}aniline |
| Formula | C22 H28 N2 |
| Calculated formula | C22 H28 N2 |
| SMILES | C(=N\c1ccccc1C(C)(C)C)/C=N/c1ccccc1C(C)(C)C |
| Title of publication | Crystal structure of 1,2-bis[(2-<i>tert</i>-butylphenyl)imino]ethane |
| Authors of publication | Silvino, Alexandre C.; Torres, Juliana M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o385 - o386 |
| a | 12.333 ± 0.003 Å |
| b | 6.474 ± 0.0013 Å |
| c | 12.519 ± 0.003 Å |
| α | 90° |
| β | 95.22 ± 0.03° |
| γ | 90° |
| Cell volume | 995.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0756 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240610.cif 2240610.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240610.cif 2240610.hkl |
| 136402 | 2015-05-13 | cif/ hkl/ Adding structures of 2240610 via cif-deposit CGI script. |
2240610.cif 2240610.hkl |
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Users of the data should acknowledge the original authors of the
structural data.