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Information card for entry 4038341
Preview
| Coordinates | 4038341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H16 N6 O |
|---|---|
| Calculated formula | C23 H16 N6 O |
| Title of publication | 2H-bis-1,2,3-triazolo-isoquinoline. Design, synthesis and photophysical study. |
| Authors of publication | Tsyrenova, Biligma; Khrustalev, Victor N.; Nenajdenko, Valentine Georgievich |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 9.4118 ± 0.0012 Å |
| b | 10.1482 ± 0.0014 Å |
| c | 11.4542 ± 0.0015 Å |
| α | 112.346 ± 0.003° |
| β | 101.577 ± 0.003° |
| γ | 106.514 ± 0.003° |
| Cell volume | 909.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1202 |
| Residual factor for significantly intense reflections | 0.0792 |
| Weighted residual factors for significantly intense reflections | 0.1899 |
| Weighted residual factors for all reflections included in the refinement | 0.2167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251986 (current) | 2020-05-13 | cif/ Adding structures of 4038341 via cif-deposit CGI script. |
4038341.cif |
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Users of the data should acknowledge the original authors of the
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