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Information card for entry 2003231
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| Coordinates | 2003231.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | tetramethyl-4,7-dioxadecanedioic acid |
|---|---|
| Chemical name | 2,2,9,9-tetramethyl-4,7-dioxadecanedioic acid |
| Formula | C12 H22 O6 |
| Calculated formula | C12 H22 O6 |
| SMILES | OC(=O)C(COCCOCC(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 | 12.457 ± 0.003 Å |
| b | 9.828 ± 0.002 Å |
| c | 12.588 ± 0.002 Å |
| α | 90° |
| β | 106.79 ± 0.02° |
| γ | 90° |
| Cell volume | 1475.4 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.097 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.052 |
| Goodness-of-fit parameter for significantly intense reflections | 1.35 |
| Diffraction radiation wavelength | 0.71067 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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