Information card for entry 2013571
| Chemical name |
2,3-Bi(2-methylphenylimino)-1,4-dithiacyclohexane |
| Formula |
C18 H18 N2 S2 |
| Calculated formula |
C18 H18 N2 S2 |
| SMILES |
Cc1ccccc1/N=C1\SCCS\C1=N/c1ccccc1C |
| Title of publication |
2,3-Bis(2-methylphenylimino)-1,4-dithiacyclohexane |
| Authors of publication |
Li, Yi-Zhi; Liu, Wei-Wei; Li, Yan-Jie; Pan, Guo-Jun; Hu, Hong-Wen |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2003 |
| Journal volume |
59 |
| Journal issue |
11 |
| Pages of publication |
o611 - o612 |
| a |
6.7333 ± 0.0009 Å |
| b |
12.6195 ± 0.0016 Å |
| c |
19.827 ± 0.003 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1684.7 ± 0.4 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
60 |
| Hermann-Mauguin space group symbol |
P b c n |
| Hall space group symbol |
-P 2n 2ab |
| Residual factor for all reflections |
0.0839 |
| Residual factor for significantly intense reflections |
0.058 |
| Weighted residual factors for significantly intense reflections |
0.1367 |
| Weighted residual factors for all reflections included in the refinement |
0.1465 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.004 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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