Information card for entry 7241922
| Formula |
C31 H57 Cl N2 O7 S |
| Calculated formula |
C31 H57 Cl N2 O7 S |
| Title of publication |
The role of water in the formation of crystal structures: a case study of valnemulin hydrochloride |
| Authors of publication |
Li, Shuyu; Wang, Ting; Huang, Xin; Zhou, Lina; Chen, Mingyu; Liu, Wanying; Zhang, Xiunan; Dong, Yuyuan; Hao, Hongxun |
| Journal of publication |
CrystEngComm |
| Year of publication |
2021 |
| Journal volume |
23 |
| Journal issue |
1 |
| Pages of publication |
47 - 55 |
| a |
9.6059 ± 0.0001 Å |
| b |
15.3508 ± 0.0001 Å |
| c |
19.727 ± 0.0002 Å |
| α |
105.947 ± 0.001° |
| β |
93.028 ± 0.001° |
| γ |
108.138 ± 0.001° |
| Cell volume |
2627.33 ± 0.05 Å3 |
| Cell temperature |
160 ± 0.1 K |
| Ambient diffraction temperature |
160 ± 0.1 K |
| Number of distinct elements |
6 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0807 |
| Residual factor for significantly intense reflections |
0.0745 |
| Weighted residual factors for significantly intense reflections |
0.2107 |
| Weighted residual factors for all reflections included in the refinement |
0.2253 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7241922.html
