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Information card for entry 1558266
Preview
| Coordinates | 1558266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3-Benzoyl-6-phenylhex-5-ene-2,4-dione |
|---|---|
| Formula | C19 H16 O3 |
| Calculated formula | C19 H16 O3 |
| SMILES | OC(=C(\C(=O)c1ccccc1)C(=O)C)\C=C\c1ccccc1 |
| Title of publication | A Structural Study of the beta,beta'-Triketone 3-Benzoyl-6-phenylhex-5-ene-2,4-dione |
| Authors of publication | Arrieta, Antonio F.; Haglund, Kjersti Ann; Mostad, Arvid |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1995 |
| Journal volume | 49 |
| Pages of publication | 918 - 921 |
| a | 5.627 ± 0.001 Å |
| b | 34.136 ± 0.007 Å |
| c | 7.999 ± 0.001 Å |
| α | 90° |
| β | 104.01 ± 0.01° |
| γ | 90° |
| Cell volume | 1490.8 ± 0.5 Å3 |
| Ambient diffraction temperature | 121 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 | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.12 |
| 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 |
|---|---|---|---|
| 252987 (current) | 2020-06-08 | cif/ Adding structures of 1558266 via cif-deposit CGI script. |
1558266.cif |
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Users of the data should acknowledge the original authors of the
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