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Information card for entry 4513559
Preview
| Coordinates | 4513559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 6-(4-Bromophenyl)indolizino[3,2-c]quinoline |
|---|---|
| Formula | C21 H13 Br N2 |
| Calculated formula | C21 H13 Br N2 |
| SMILES | Brc1ccc(c2nc3c(c4cc5n(c24)cccc5)cccc3)cc1 |
| Title of publication | When Indolizine Meets Quinoline: Diversity-Oriented Synthesis of New Polyheterocycles and Their Optical Properties. |
| Authors of publication | Park, Sujin; Kwon, Dah In; Lee, Jeeyeon; Kim, Ikyon |
| Journal of publication | ACS combinatorial science |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 459 - 469 |
| a | 4.1385 ± 0.0004 Å |
| b | 17.8868 ± 0.0019 Å |
| c | 20.726 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1534.2 ± 0.3 Å3 |
| Cell temperature | 171 K |
| Ambient diffraction temperature | 171 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1241 |
| Residual factor for significantly intense reflections | 0.0951 |
| Weighted residual factors for significantly intense reflections | 0.2494 |
| Weighted residual factors for all reflections included in the refinement | 0.2696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.25 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513559.cif |
| 153917 | 2015-09-04 | cif/ Adding structures of 4513559 via cif-deposit CGI script. |
4513559.cif |
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Users of the data should acknowledge the original authors of the
structural data.