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Information card for entry 7062114
Preview
| Coordinates | 7062114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 N7 O4 S |
|---|---|
| Calculated formula | C13 H15 N7 O4 S |
| Title of publication | Non-aromatic azolo[5,1-c][1,2,4]triazines: a pot, atom and step economic (PASE) synthesis, mechanistic insight and fluorescence properties |
| Authors of publication | Sadchikova, Elena V.; Beliaev, Nikolai A.; Alexeeva, Daria L.; Safronov, Nikita E.; Belskaya, Nataliya P. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 46 |
| Pages of publication | 22171 - 22184 |
| a | 18.226 ± 0.003 Å |
| b | 12.3104 ± 0.0011 Å |
| c | 7.2437 ± 0.0011 Å |
| α | 90° |
| β | 98.275 ± 0.016° |
| γ | 90° |
| Cell volume | 1608.3 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1045 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279617 (current) | 2022-11-29 | cif/ Adding structures of 7062114 via cif-deposit CGI script. |
7062114.cif |
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Users of the data should acknowledge the original authors of the
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