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Information card for entry 2241298
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| Coordinates | 2241298.cif |
|---|---|
| Structure factors | 2241298.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,3-Bis(2,3-dimethylquinoxalin-6-yl)benzene |
|---|---|
| Formula | C26 H22 N4 |
| Calculated formula | C26 H22 N4 |
| SMILES | c1c(cccc1c1cc2nc(c(nc2cc1)C)C)c1cc2nc(C)c(nc2cc1)C |
| Title of publication | Crystal structure of 1,3-bis(2,3-dimethylquinoxalin-6-yl)benzene |
| Authors of publication | Diesendruck, Charles E.; Rubin, Gabrielle; Bertke, Jeffery A.; Gray, Danielle L.; Moore, Jeffrey S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | 1429 - 1432 |
| a | 6.828 ± 0.003 Å |
| b | 11.837 ± 0.005 Å |
| c | 24.079 ± 0.011 Å |
| α | 90° |
| β | 91.902 ± 0.005° |
| γ | 90° |
| Cell volume | 1945.1 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0765 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1201 |
| Weighted residual factors for all reflections included in the refinement | 0.1384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241298.cif 2241298.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. |
2241298.cif 2241298.hkl |
| 170180 | 2015-11-07 | cif/ hkl/ Adding structures of 2241298 via cif-deposit CGI script. |
2241298.cif 2241298.hkl |
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Users of the data should acknowledge the original authors of the
structural data.