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Information card for entry 2010338
Preview
| Coordinates | 2010338.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 8-Chloro-3,6-dioxaoctyl-(E,E)-3-(3,5-dichloro-2-hydroxyphenylazo)-2-chloro- 2-but-enoat |
|---|---|
| Formula | C16 H18 Cl4 N2 O5 |
| Calculated formula | C16 H18 Cl4 N2 O5 |
| SMILES | ClCCOCCOCCOC(=O)/C(=C(\N=N\c1cc(Cl)cc(c1O)Cl)C)Cl |
| Title of publication | 8-Chloro-3,6-dioxaoctyl (<i>E</i>,<i>E</i>)-2-chloro-3-(3,5-dichloro-2-hydroxyphenylazo)-2-butenoate |
| Authors of publication | Ramm, Matthias; Baumann, Hendrik; Kirschke, Klaus |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 12 |
| Pages of publication | 2072 - 2074 |
| a | 7.1189 ± 0.0004 Å |
| b | 25.685 ± 0.003 Å |
| c | 11.1476 ± 0.0009 Å |
| α | 90° |
| β | 98.641 ± 0.006° |
| γ | 90° |
| Cell volume | 2015.2 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.071 |
| Goodness-of-fit parameter for significantly intense reflections | 2.459 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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