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Information card for entry 2006282
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| Coordinates | 2006282.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tetraethyleneneglycol succinate |
|---|---|
| Formula | C12 H20 O7 |
| Calculated formula | C12 H20 O7 |
| SMILES | O1CCOCCOCCOC(=O)CCC(=O)OCC1 |
| Title of publication | A Cyclic Monomer of Tetraethyleneglycol Succinate |
| Authors of publication | Cronin, Leroy; Moore, Madeleine H.; Semlyen, J. Anthony; Wood, Barry R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 940 - 942 |
| a | 8.97 ± 0.02 Å |
| b | 18.89 ± 0.03 Å |
| c | 8.355 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1416 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1552 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections | 0.3111 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Goodness-of-fit parameter for all reflections | 1.053 |
| Goodness-of-fit parameter for significantly intense reflections | 1.08 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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