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Information card for entry 2006085
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| Coordinates | 2006085.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,2'-[(1,2-ethanediyl)bis(nitrilopropylidyne)]bisphenol |
|---|---|
| Formula | C20 H24 N2 O2 |
| Calculated formula | C20 H24 N2 O2 |
| SMILES | CCC(=N\CC/N=C(/c1ccccc1O)CC)/c1ccccc1O |
| Title of publication | Two Schiff Base Ligands Derived from 1,2-Diaminoethane |
| Authors of publication | Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 486 - 488 |
| a | 5.131 ± 0.005 Å |
| b | 13.261 ± 0.008 Å |
| c | 12.718 ± 0.005 Å |
| α | 90° |
| β | 94.95 ± 0.08° |
| γ | 90° |
| Cell volume | 862.1 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0952 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for all reflections | 0.0927 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Goodness-of-fit parameter for all reflections | 0.723 |
| Goodness-of-fit parameter for significantly intense reflections | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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