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Information card for entry 4510530
Preview
| Coordinates | 4510530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one 1,5-Diphenyl-penta-1,4-dien-3-one |
|---|---|
| Chemical name | 1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one 1,5-Diphenyl-penta-1,4-dien-3-one |
| Formula | C34 H18 F10 O2 |
| Calculated formula | C34 H18 F10 O2 |
| SMILES | O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)/C=C/c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Penta- and Decafluorinated Dibenzalacetones: Synthesis, Crystal Structure, and Cocrystallization Experiments |
| Authors of publication | Schwarzer, Anke; Weber, Edwin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 2335 |
| a | 7.4146 ± 0.0012 Å |
| b | 11.1034 ± 0.0017 Å |
| c | 17.304 ± 0.003 Å |
| α | 86.917 ± 0.008° |
| β | 79.945 ± 0.007° |
| γ | 74.085 ± 0.008° |
| Cell volume | 1348.9 ± 0.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1119 |
| Residual factor for significantly intense reflections | 0.0701 |
| Weighted residual factors for significantly intense reflections | 0.1689 |
| Weighted residual factors for all reflections included in the refinement | 0.1926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179652 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05. |
4510530.cif |
| 115642 | 2014-06-05 | cif/ Updating files of 4510528, 4510529, 4510530 Original log message: Adding full bibliography for 4510528--4510530.cif. |
4510530.cif |
| 111732 | 2014-04-27 | cif/ Adding structures of 4510528, 4510529, 4510530 via cif-deposit CGI script. |
4510530.cif |
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