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Information card for entry 2006359
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| Coordinates | 2006359.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-(2,4-Diacetoxyphenyl)-2-phenylethanone |
|---|---|
| Formula | C18 H16 O5 |
| Calculated formula | C18 H16 O5 |
| SMILES | O=C(c1c(OC(=O)C)cc(OC(=O)C)cc1)Cc1ccccc1 |
| Title of publication | 1-(2,4-Diacetoxyphenyl)-2-phenylethanone |
| Authors of publication | Pati, Hari N.; Parmar, Virinder S.; Errington, William |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | 1161 - 1162 |
| a | 8.034 ± 0.006 Å |
| b | 9.039 ± 0.007 Å |
| c | 11.493 ± 0.009 Å |
| α | 106.15 ± 0.06° |
| β | 92.75 ± 0.06° |
| γ | 106.74 ± 0.06° |
| Cell volume | 760.2 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for all reflections | 0.1236 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Goodness-of-fit parameter for all reflections | 1.043 |
| Goodness-of-fit parameter for significantly intense reflections | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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