Information card for entry 7129855
| Formula |
C16 H24 N24 O9 |
| Calculated formula |
C16 H24 N24 O9 |
| Title of publication |
Accelerated discovery of thermostable high-energy materials with intramolecular donor-acceptor building blocks. |
| Authors of publication |
Ma, Qing; Cheng, Zhen; Yang, Lei; Du, Wei; Yin, Yilin; Ma, Wenqiang; Fan, Guijuan; Li, Jinshan |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2022 |
| Journal volume |
58 |
| Journal issue |
28 |
| Pages of publication |
4460 - 4463 |
| a |
6.7298 ± 0.0003 Å |
| b |
6.9801 ± 0.0004 Å |
| c |
15.5552 ± 0.0007 Å |
| α |
77.956 ± 0.002° |
| β |
82.164 ± 0.002° |
| γ |
89.214 ± 0.002° |
| Cell volume |
707.86 ± 0.06 Å3 |
| Cell temperature |
115 K |
| Ambient diffraction temperature |
115 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 |
0.0622 |
| Residual factor for significantly intense reflections |
0.0491 |
| Weighted residual factors for significantly intense reflections |
0.1134 |
| Weighted residual factors for all reflections included in the refinement |
0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.099 |
| 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/7129855.html
