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Information card for entry 2241770
Preview
| Coordinates | 2241770.cif |
|---|---|
| Structure factors | 2241770.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (2<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one |
|---|---|
| Formula | C26 H22 O |
| Calculated formula | C26 H22 O |
| Title of publication | The crystal structures of two chalcones: (2<i>E</i>)-1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one and (2<i>E</i>)-1-(anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one |
| Authors of publication | Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 8 |
| Pages of publication | 1153 - 1158 |
| a | 9.015 ± 0.0004 Å |
| b | 14.0601 ± 0.0006 Å |
| c | 16.2611 ± 0.0008 Å |
| α | 105.146 ± 0.004° |
| β | 95.967 ± 0.004° |
| γ | 98.057 ± 0.004° |
| Cell volume | 1948.46 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0726 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1286 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241770.cif 2241770.hkl |
| 184527 | 2016-07-20 | cif/ hkl/ Adding structures of 2241769, 2241770 via cif-deposit CGI script. |
2241770.cif 2241770.hkl |
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Users of the data should acknowledge the original authors of the
structural data.