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Information card for entry 2003230
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| Coordinates | 2003230.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | o-phenylenedioxy-bis(dimethyl-4-oxahexanoic acid) |
|---|---|
| Chemical name | 6,6'-o-phenylenedioxybis(2,2-dimethyl-4-oxahexanoic acid) |
| Formula | C20 H30 O8 |
| Calculated formula | C20 H30 O8 |
| SMILES | OC(=O)C(COCCOc1ccccc1OCCOCC(C(=O)O)(C)C)(C)C |
| Title of publication | Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids |
| Authors of publication | Ferguson, G.; Gallagher, J. F.; McAlees, A. J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 3 |
| Pages of publication | 454 - 458 |
| a | 11.321 ± 0.003 Å |
| b | 10.782 ± 0.002 Å |
| c | 17.916 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2186.9 ± 0.9 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P c a n |
| Hall space group symbol | -P 2n 2c |
| Residual factor for all reflections | 0.107 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections | 0.088 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Goodness-of-fit parameter for significantly intense reflections | 2.04 |
| Diffraction radiation wavelength | 0.71067 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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