Information card for entry 7122543
| Formula |
C9 H13 N17 O15 |
| Calculated formula |
C9 H13 N17 O15 |
| Title of publication |
A novel cocrystal composed of CL-20 and an energetic ionic salt. |
| Authors of publication |
Zhang, Xiaopeng; Chen, Shusen; Wu, Yige; Jin, Shaohua; Wang, Xiaojun; Wang, Yuqiao; Shang, Fengqin; Chen, Kun; Du, Junyi; Shu, Qinghai |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
94 |
| Pages of publication |
13268 - 13270 |
| a |
7.7021 ± 0.0001 Å |
| b |
25.8034 ± 0.0004 Å |
| c |
11.7215 ± 0.0002 Å |
| α |
90° |
| β |
91.931 ± 0.001° |
| γ |
90° |
| Cell volume |
2328.21 ± 0.06 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170.01 K |
| Number of distinct elements |
4 |
| 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 |
0.0419 |
| Residual factor for significantly intense reflections |
0.0402 |
| Weighted residual factors for significantly intense reflections |
0.1004 |
| Weighted residual factors for all reflections included in the refinement |
0.1017 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.049 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7122543.html
