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Information card for entry 4033241
Preview
| Coordinates | 4033241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H20 N2 O2 |
|---|---|
| Calculated formula | C24 H20 N2 O2 |
| SMILES | O(C(c1n(c2ccccc2)c(nc1)c1ccccc1)c1ccccc1)C(=O)C |
| Title of publication | Ag-Catalyzed Tandem Three-Component Reaction toward the Synthesis of Multisubstituted Imidazoles. |
| Authors of publication | Wang, Changcheng; Lai, Jialin; Chen, Cantao; Li, Xuechen; Cao, Hua |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 24 |
| Pages of publication | 13740 - 13745 |
| a | 18.9318 ± 0.0007 Å |
| b | 9.1249 ± 0.0003 Å |
| c | 11.0844 ± 0.0004 Å |
| α | 90° |
| β | 93.622 ± 0.003° |
| γ | 90° |
| Cell volume | 1911.01 ± 0.12 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.1225 |
| Residual factor for significantly intense reflections | 0.1189 |
| Weighted residual factors for significantly intense reflections | 0.3425 |
| Weighted residual factors for all reflections included in the refinement | 0.3437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4033241.cif |
| 204804 | 2018-01-06 | cif/ Updating files of 4033241 Original log message: Adding full bibliography for 4033241.cif. |
4033241.cif |
| 203890 | 2017-12-03 | cif/ Adding structures of 4033241 via cif-deposit CGI script. |
4033241.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.