Information card for entry 7249655
| Formula |
C18 H8 N14 O9 |
| Calculated formula |
C18 H8 N14 O9 |
| Title of publication |
Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials |
| Authors of publication |
Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2025 |
| Journal volume |
27 |
| Journal issue |
3 |
| Pages of publication |
386 - 399 |
| a |
7.5638 ± 0.0002 Å |
| b |
9.2989 ± 0.0002 Å |
| c |
15.196 ± 0.0004 Å |
| α |
93.97 ± 0.001° |
| β |
92.746 ± 0.001° |
| γ |
100.653 ± 0.001° |
| Cell volume |
1045.86 ± 0.05 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 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 |
0.0889 |
| Residual factor for significantly intense reflections |
0.0481 |
| Weighted residual factors for significantly intense reflections |
0.1228 |
| Weighted residual factors for all reflections included in the refinement |
0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7249655.html
