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Information card for entry 2010457
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| Coordinates | 2010457.cif |
|---|
| Common name | aversin |
|---|---|
| Formula | C20 H16 O7 |
| Calculated formula | C20 H16 O7 |
| SMILES | COc1cc(OC)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2CCO1 |
| Title of publication | Aversin |
| Authors of publication | Chan, Simon; Trotter, James |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Pages of publication | 272 - 274 |
| a | 5.166 ± 0.002 Å |
| b | 20.282 ± 0.002 Å |
| c | 15.513 ± 0.003 Å |
| α | 90° |
| β | 96.41 ± 0.03° |
| γ | 90° |
| Cell volume | 1615.2 ± 0.5 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Duplicate of | 2003199 |
| 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.