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Information card for entry 2003192
Preview
| Coordinates | 2003192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H22 O3 |
|---|---|
| Calculated formula | C14 H22 O3 |
| SMILES | O=C1CC[C@@]2([C@H]([C@H]1C)CCCC12OCCO1)C.O=C1CC[C@]2([C@@H]([C@@H]1C)CCCC12OCCO1)C |
| Title of publication | (1β,5α,6β)-10,10-(1,2-Ethylenedioxy)-1,5-di-methylbicyclo [4.4.0]decan-4-one |
| Authors of publication | Park, Kwangyong; Swenson, Dale C.; Scott, William J.; Wiemer, David F. |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 2 |
| Pages of publication | 268 - 270 |
| a | 7.889 ± 0.001 Å |
| b | 19.49 ± 0.003 Å |
| c | 8.559 ± 0.001 Å |
| α | 90° |
| β | 101.7 ± 0.01° |
| γ | 90° |
| Cell volume | 1288.7 ± 0.6 Å3 |
| Cell temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Goodness-of-fit parameter for significantly intense reflections | 1.43 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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