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Information card for entry 1547257
Preview
| Coordinates | 1547257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H24 O6 |
|---|---|
| Calculated formula | C23 H24 O6 |
| SMILES | O=C(/C=C/c1c(OC)cccc1OC)/C=C(O)/C=C/c1c(OC)cccc1OC |
| Title of publication | Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination |
| Authors of publication | Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket |
| Journal of publication | Chemistry Central Journal |
| Year of publication | 2013 |
| Journal volume | 7 |
| Pages of publication | 107 |
| a | 9.5682 ± 0.0002 Å |
| b | 15.8094 ± 0.0004 Å |
| c | 13.5902 ± 0.0002 Å |
| α | 90° |
| β | 99.76 ± 0.001° |
| γ | 90° |
| Cell volume | 2026 ± 0.07 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1058 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.2056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201076 (current) | 2017-09-20 | cif/ Adding structures of 1547257 via cif-deposit CGI script. |
1547257.cif |
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Users of the data should acknowledge the original authors of the
structural data.