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Information card for entry 1558381
Preview
| Coordinates | 1558381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-Benzyl-1,7-diphenyl-1,6-heptadiene-3,5-dione |
|---|---|
| Formula | C26 H22 O2 |
| Calculated formula | C26 H22 O2 |
| SMILES | O=C(/C=C/c1ccccc1)/C(=C(O)/C=C/c1ccccc1)Cc1ccccc1 |
| Title of publication | Structural Studies of Curcuminoids. VIII. Crystal and Molecular Structure of 4-Benzyl-1,7-diphenyl-1,6-heptadiene-3,5-dione |
| Authors of publication | Mostad, Arvid |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1994 |
| Journal volume | 48 |
| Pages of publication | 144 - 148 |
| a | 5.888 ± 0.003 Å |
| b | 8.664 ± 0.005 Å |
| c | 40.11 ± 0.018 Å |
| α | 90° |
| β | 92.93 ± 0.04° |
| γ | 90° |
| Cell volume | 2043.5 ± 1.8 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 | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.8 |
| 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 |
|---|---|---|---|
| 253305 (current) | 2020-06-22 | cif/ Adding structures of 1558381 via cif-deposit CGI script. |
1558381.cif |
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Users of the data should acknowledge the original authors of the
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