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Information card for entry 1559716
Preview
| Coordinates | 1559716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | meso-hydroveratroin |
|---|---|
| Formula | C18 H22 O6 |
| Calculated formula | C18 H22 O6 |
| SMILES | c1(cc(c(cc1)OC)OC)[C@@H](O)[C@H](c1cc(c(cc1)OC)OC)O |
| Title of publication | Studies on Hydrobenzoins: Preparation, Crystal Structure and Stability of Borate Complexes |
| Authors of publication | Karlsson, Olov; Lundquist, Knut; Stomberg, Rolf |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1990 |
| Journal volume | 44 |
| Pages of publication | 617 - 624 |
| a | 8.185 ± 0.002 Å |
| b | 12.605 ± 0.003 Å |
| c | 8.414 ± 0.002 Å |
| α | 90° |
| β | 109.74 ± 0.02° |
| γ | 90° |
| Cell volume | 817.1 ± 0.4 Å3 |
| Ambient diffraction temperature | 293 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 | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559716.cif |
| 259652 | 2020-12-08 | cif/ Adding structures of 1559716 via cif-deposit CGI script. |
1559716.cif |
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Users of the data should acknowledge the original authors of the
structural data.