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Information card for entry 2242915
Preview
| Coordinates | 2242915.cif |
|---|---|
| Structure factors | 2242915.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-3-(Anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one |
|---|---|
| Formula | C23 H15 N O3 |
| Calculated formula | C23 H15 N O3 |
| SMILES | O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccc(N(=O)=O)cc1 |
| Title of publication | Crystal structure and optical properties of fused-ring chalcone (<i>E</i>)-3-(anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one |
| Authors of publication | Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| Pages of publication | 685 - 689 |
| a | 10.8204 ± 0.001 Å |
| b | 3.9364 ± 0.0003 Å |
| c | 40.42 ± 0.003 Å |
| α | 90° |
| β | 97.651 ± 0.003° |
| γ | 90° |
| Cell volume | 1706.3 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1154 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.1638 |
| Weighted residual factors for all reflections included in the refinement | 0.1784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2242915.cif 2242915.hkl |
| 214791 | 2019-04-26 | cif/ hkl/ Adding structures of 2242915 via cif-deposit CGI script. |
2242915.cif 2242915.hkl |
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Users of the data should acknowledge the original authors of the
structural data.