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Information card for entry 2021872
Preview
| Coordinates | 2021872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (E)-2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene |
|---|---|
| Formula | C17 H18 O4 |
| Calculated formula | C17 H18 O4 |
| SMILES | c1(c(c(cc(c1)C)OC)O)/C=C/c1cc(c(cc1)O)OC |
| Title of publication | An investigation of 2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene using X-ray crystallography and NMR spectroscopy |
| Authors of publication | Li, S.; Lundquist, K.; Stomberg, R. |
| Journal of publication | Acta Crystallographica Section C Crystal Structure Communications |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 6 |
| Pages of publication | 1012 |
| a | 8.4341 ± 0.0001 Å |
| b | 15.5112 ± 0.0003 Å |
| c | 11.4293 ± 0.0001 Å |
| α | 90° |
| β | 90.397 ± 0.001° |
| γ | 90° |
| Cell volume | 1495.18 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246032 (current) | 2019-12-26 | cif/ Adding structures of 2021872 via cif-deposit CGI script. |
2021872.cif |
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