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Information card for entry 2002101
Preview
| Coordinates | 2002101.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C22 H32 O8 |
|---|---|
| Calculated formula | C22 H32 O8 |
| SMILES | O=C(OC)C1(CC=CCC(CCCCCC=CC1)(C(=O)OC)C(=O)OC)C(=O)OC |
| Title of publication | Structure of a cyclotetradecadiene |
| Authors of publication | Erickson, M. S.; Schilling, P. J.; Fronczek, F. R.; Watkins, S. F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1993 |
| Journal volume | 49 |
| Journal issue | 1 |
| Pages of publication | 165 - 167 |
| a | 22.669 ± 0.006 Å |
| b | 15.663 ± 0.006 Å |
| c | 12.995 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4614 ± 3 Å3 |
| Cell temperature | 294 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Goodness-of-fit parameter for significantly intense reflections | 2.225 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.