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Information card for entry 2007418
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| Coordinates | 2007418.cif |
|---|---|
| Structure factors | 2007418.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1α-(3'-furyl)-4β,4aβ-epoxy-5,8aα-dimethyl-3-oxohexahydro- 1H-2-benzopyran |
|---|---|
| Formula | C15 H16 O4 |
| Calculated formula | C15 H16 O4 |
| SMILES | O=C1O[C@@H](c2cocc2)[C@]2([C@]3([C@@H]1O3)C(=CCC2)C)C |
| Title of publication | Calodendrolide, a Degraded Limonoid from <i>Calodendrum capense</i> |
| Authors of publication | Rajab, Mohamed S.; Fronczek, Frank R.; Rugutt, Joseph K.; Fischer, Nikolaus H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 7 |
| Pages of publication | 950 - 952 |
| a | 9.023 ± 0.0005 Å |
| b | 17.894 ± 0.002 Å |
| c | 24.469 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3950.7 ± 0.6 Å3 |
| Cell temperature | 299 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 significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.044 |
| Goodness-of-fit parameter for significantly intense reflections | 1.557 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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