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Information card for entry 2004767
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| Coordinates | 2004767.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C11 H10 O4 |
|---|---|
| Calculated formula | C11 H10 O4 |
| SMILES | O=C1OC[C@@H]2[C@H]1O[C@H](O2)c1ccccc1 |
| Title of publication | Two Diastereomers of Benzylidene-<small>D</small>-erythronolactone |
| Authors of publication | Flasche, M.; Raabe, G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 4 |
| Pages of publication | 895 - 899 |
| a | 5.7 ± 0.0007 Å |
| b | 10.7002 ± 0.0009 Å |
| c | 16.142 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 984.52 ± 0.16 Å3 |
| Cell temperature | 293 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 | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.03 |
| Goodness-of-fit parameter for significantly intense reflections | 3.877 |
| Diffraction radiation wavelength | 1.54179 Å |
| Diffraction radiation type | CuKα |
| 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.