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Information card for entry 4035182
Preview
| Coordinates | 4035182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H19 N3 O3 |
|---|---|
| Calculated formula | C26 H19 N3 O3 |
| SMILES | O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1N(N1c3c(C=C[C@H]21)cccc3)C(=O)c1ccccc1.O=C1N(c2ccccc2)C(=O)[C@H]2[C@@H]1N(N1c3c(C=C[C@@H]21)cccc3)C(=O)c1ccccc1 |
| Title of publication | Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite. |
| Authors of publication | Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 19 |
| Pages of publication | 11552 - 11570 |
| a | 9.5284 ± 0.0005 Å |
| b | 10.4453 ± 0.0007 Å |
| c | 10.9147 ± 0.0006 Å |
| α | 82.831 ± 0.005° |
| β | 88.793 ± 0.005° |
| γ | 78.374 ± 0.005° |
| Cell volume | 1055.69 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0502 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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. |
4035182.cif |
| 226659 | 2019-11-11 | cif/ Adding structures of 4035182 via cif-deposit CGI script. |
4035182.cif |
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