Information card for entry 7063527
| Formula |
C36 H29 N8 O4 |
| Calculated formula |
C36 H29 N8 O4 |
| Title of publication |
2-Azidoazirines suitable for click chemistry: synthesis of 1-(2H-azirin-2-yl)-1H-1,2,3-triazoles |
| Authors of publication |
Golubev, Artem; Simdianov, Ivan; Smetanin, Ilia; Agafonova, Anastasiya; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail Sergeevich |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2024 |
| a |
7.88082 ± 0.00011 Å |
| b |
12.52489 ± 0.00013 Å |
| c |
16.0163 ± 0.00014 Å |
| α |
97.1059 ± 0.0008° |
| β |
91.7213 ± 0.001° |
| γ |
94.7055 ± 0.001° |
| Cell volume |
1562.19 ± 0.03 Å3 |
| Cell temperature |
100.01 ± 0.13 K |
| Ambient diffraction temperature |
100.01 ± 0.13 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 |
0.0405 |
| Residual factor for significantly intense reflections |
0.036 |
| Weighted residual factors for significantly intense reflections |
0.0955 |
| Weighted residual factors for all reflections included in the refinement |
0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.051 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7063527.html
