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Information card for entry 4518798
Preview
| Coordinates | 4518798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H13 N5 |
|---|---|
| Calculated formula | C21 H13 N5 |
| SMILES | N#Cc1c(c2ccc(C)cc2)ccn2nc3c(nc12)nc1c3cccc1 |
| Title of publication | TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives. |
| Authors of publication | Ibrahim, Hamada Mohamed; Behbehani, Haider |
| Journal of publication | ACS omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 24 |
| Pages of publication | 16086 - 16099 |
| a | 18.444 ± 0.002 Å |
| b | 12.6807 ± 0.0012 Å |
| c | 6.8046 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1591.5 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1728 |
| Weighted residual factors for all reflections included in the refinement | 0.1781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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The link is: https://www.crystallography.net/4518798.html
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