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Information card for entry 2010178
Preview
| Coordinates | 2010178.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (7R,8S,9R)-5,6-seco-neo-clerodane-1,3,5(10),13(16),14-pentaene-12-oxo-15, 16-epoxy-18,19;20(7)-diolide |
|---|---|
| Formula | C20 H18 O6 |
| Calculated formula | C20 H18 O6 |
| SMILES | C[C@H]1OC(=O)[C@@]([C@@H]1C)(CC(=O)c1cocc1)c1cccc2c1COC2=O |
| Title of publication | Salvireptanolide |
| Authors of publication | Toscano, R.A.; Sanchez, A.A.; Esquivel, B.; Esquivel, O.; Rodriguez-Hahn, L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 11 |
| Pages of publication | 1794 - 1796 |
| a | 9.439 ± 0.003 Å |
| b | 12.979 ± 0.004 Å |
| c | 13.773 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1687.3 ± 1 Å3 |
| Cell temperature | 298 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 | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| Goodness-of-fit parameter for significantly intense reflections | 1.08 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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