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Information card for entry 7224753
Preview
| Coordinates | 7224753.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 N4 |
|---|---|
| Calculated formula | C21 H18 N4 |
| SMILES | n12c(nc(c1N=Nc1ccc(C)cc1)c1ccccc1)c(C)ccc2 |
| Title of publication | tert-Butyl nitrite mediated azo coupling between anilines and imidazoheterocycles |
| Authors of publication | Hajra, Alakananda; Chakraborty, Amrita; Jana, Sourav; Kibriya, Golam; Dey, Amrita |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.532 ± 0.003 Å |
| b | 9.63 ± 0.003 Å |
| c | 17.838 ± 0.005 Å |
| α | 90° |
| β | 98.075 ± 0.007° |
| γ | 90° |
| Cell volume | 1621.2 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0992 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1278 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.777 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180647 (current) | 2016-03-31 | cif/ Adding structures of 7224753 via cif-deposit CGI script. |
7224753.cif |
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