Information card for entry 7242591
| Formula |
C22 H34.5 N5.5 O7 S2 |
| Calculated formula |
C22 H34.5 N5.5 O7 S2 |
| Title of publication |
Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates |
| Authors of publication |
Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun |
| Journal of publication |
CrystEngComm |
| Year of publication |
2021 |
| Journal volume |
23 |
| Journal issue |
19 |
| Pages of publication |
3557 - 3568 |
| a |
14.406 ± 0.003 Å |
| b |
16.682 ± 0.003 Å |
| c |
25.02 ± 0.005 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
6013 ± 2 Å3 |
| Cell temperature |
133 ± 2 K |
| Ambient diffraction temperature |
133.15 K |
| Number of distinct elements |
5 |
| Space group number |
19 |
| Hermann-Mauguin space group symbol |
P 21 21 21 |
| Hall space group symbol |
P 2ac 2ab |
| Residual factor for all reflections |
0.0488 |
| Residual factor for significantly intense reflections |
0.0465 |
| Weighted residual factors for significantly intense reflections |
0.1222 |
| Weighted residual factors for all reflections included in the refinement |
0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.018 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7242591.html
