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Information card for entry 2010214
Preview
| Coordinates | 2010214.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H12 O4 |
|---|---|
| Calculated formula | C12 H12 O4 |
| SMILES | C[C@@H]1OC(=O)[C@@H](OC1=O)Cc1ccccc1 |
| Title of publication | Structural investigation of some lactides |
| Authors of publication | Bolte, M.; Beck, H.; Nieger, M.; Egert, E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 11 |
| Pages of publication | 1717 - 1721 |
| a | 5.995 ± 0.001 Å |
| b | 9.08 ± 0.001 Å |
| c | 20.379 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1109.3 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| Goodness-of-fit parameter for significantly intense reflections | 0.99 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.