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Information card for entry 1559715
Preview
| Coordinates | 1559715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | meso-hydroanisoin |
|---|---|
| Formula | C16 H18 O4 |
| Calculated formula | C16 H18 O4 |
| SMILES | c1(ccc(cc1)OC)[C@@H](O)[C@H](c1ccc(cc1)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 | 15.269 ± 0.006 Å |
| b | 5.035 ± 0.002 Å |
| c | 9.198 ± 0.004 Å |
| α | 90° |
| β | 98.75 ± 0.03° |
| γ | 90° |
| Cell volume | 698.9 ± 0.5 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| 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 |
|---|---|---|---|
| 259651 (current) | 2020-12-08 | cif/ Adding structures of 1559715 via cif-deposit CGI script. |
1559715.cif |
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