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Information card for entry 2010266
Preview
| Coordinates | 2010266.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C14 H20 O2 |
|---|---|
| Calculated formula | C14 H20 O2 |
| SMILES | O1C(=O)C(=CC1C1=C(CCCC1(C)C)C)C |
| Title of publication | 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2(5<i>H</i>)-furanone |
| Authors of publication | Díaz, E.; Fuentes Benitez, A.F.; Villafranca, E.V.; Jankowski, C.K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 12 |
| Pages of publication | 2030 - 2032 |
| a | 11.828 ± 0.002 Å |
| b | 10.284 ± 0.002 Å |
| c | 11.79 ± 0.002 Å |
| α | 90° |
| β | 118.3 ± 0.3° |
| γ | 90° |
| Cell volume | 1263 ± 4 Å3 |
| Cell temperature | 297 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Goodness-of-fit parameter for significantly intense reflections | 1.14 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.