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Information card for entry 8101597
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| Coordinates | 8101597.cif |
|---|
| Formula | C20 H20 O4 |
|---|---|
| Calculated formula | C20 H20 O4 |
| SMILES | O=C(CC[C@H]1O[C@@H](CO1)CC(=O)c1ccccc1)c1ccccc1.O=C(CC[C@@H]1O[C@H](CO1)CC(=O)c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of trans-3-[4-(2-oxo-2-phenylethyl)-1,3-dioxolan- 2-yl]-1-phenyl-1-propanone, C~20~H~20~O~4~ |
| Authors of publication | Avery, T. D.; Jensen, W. P.; Taylor, D. K.; Tiekink, E. R. T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 4 |
| Pages of publication | 519 - 520 |
| a | 5.557 ± 0.005 Å |
| b | 10.149 ± 0.007 Å |
| c | 28.597 ± 0.003 Å |
| α | 90° |
| β | 93.32 ± 0.03° |
| γ | 90° |
| Cell volume | 1610 ± 1 Å3 |
| Cell temperature | 153 K |
| Ambient diffraction temperature | 153 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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