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Information card for entry 2008176
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| Coordinates | 2008176.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | SN 18071.Ts |
|---|---|
| Chemical name | 1,4-bis[4-(1-pyridinium)styryl)]benzene ditosylate |
| Formula | C46 H40 N2 O6 S2 |
| Calculated formula | C46 H40 N2 O6 S2 |
| SMILES | c1cccc[n+]1c1ccc(cc1)/C=C/c1ccc(/C=C/c2ccc([n+]3ccccc3)cc2)cc1.O=S(=O)([O-])c1ccc(cc1)C.O=S(=O)([O-])c1ccc(cc1)C |
| Title of publication | 1,4-Bis[4-(1-pyridinium)styryl]benzene ditosylate |
| Authors of publication | Clark, George R.; Denny, William A.; Squire, Christopher J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 230 - 232 |
| a | 7.2454 ± 0.0003 Å |
| b | 9.1927 ± 0.0004 Å |
| c | 15.6539 ± 0.0007 Å |
| α | 92.418 ± 0.001° |
| β | 99.687 ± 0.001° |
| γ | 112.666 ± 0.001° |
| Cell volume | 941.79 ± 0.07 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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