Information card for entry 7242281
| Formula |
C31 H35 N5 O14 |
| Calculated formula |
C31 H35 N5 O14 |
| Title of publication |
Salt or/and cocrystal? The case of the antidepressant drug venlafaxine |
| Authors of publication |
Yu, Hongmei; Zhang, Yong; Zhang, Baoxi; Wang, Ying; Zhang, Li; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua |
| Journal of publication |
CrystEngComm |
| Year of publication |
2021 |
| Journal volume |
23 |
| Journal issue |
14 |
| Pages of publication |
2665 - 2672 |
| a |
10.9041 ± 0.0005 Å |
| b |
12.2722 ± 0.0005 Å |
| c |
13.4566 ± 0.0005 Å |
| α |
69.298 ± 0.004° |
| β |
78.815 ± 0.004° |
| γ |
88.35 ± 0.004° |
| Cell volume |
1650.91 ± 0.13 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 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 |
0.0582 |
| Residual factor for significantly intense reflections |
0.0479 |
| Weighted residual factors for significantly intense reflections |
0.1289 |
| Weighted residual factors for all reflections included in the refinement |
0.1402 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.018 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7242281.html
