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Information card for entry 2006149
Preview
| Coordinates | 2006149.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C23 H22 N2 O4 S |
|---|---|
| Calculated formula | C23 H22 N2 O4 S |
| SMILES | C=CCc1cc(OC)c(c(c1)/N=N/c1ccccc1)OS(=O)(=O)c1ccc(cc1)C |
| Title of publication | 5-Allyl-3-methoxy-2-(<i>p</i>-tolylsulfonyloxy)azobenzene |
| Authors of publication | Işık, Şamil; Aygün, Muhittin; Şaşmaz, Selami; Kendi, Engin; Büyükgüngör, Orhan; Erdönmez, Ahmet |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 5 |
| Pages of publication | 593 - 594 |
| a | 6.811 ± 0.002 Å |
| b | 11.079 ± 0.002 Å |
| c | 14.907 ± 0.002 Å |
| α | 91.82 ± 0.03° |
| β | 96.53 ± 0.03° |
| γ | 105.41 ± 0.03° |
| Cell volume | 1075.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections | 0.1234 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Goodness-of-fit parameter for all reflections | 1.063 |
| Goodness-of-fit parameter for significantly intense reflections | 1.092 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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