Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247961
Preview
Coordinates | 7247961.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Domperidone orotate |
---|---|
Chemical name | Domperidone orotate |
Formula | C27 H28 Cl N7 O6 |
Calculated formula | C27 H28 Cl N7 O6 |
Title of publication | New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts |
Authors of publication | Nechipadappu, Sunil Kumar; Swain, Debasish |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 7 |
Pages of publication | 926 - 942 |
a | 7.5379 ± 0.0004 Å |
b | 11.3926 ± 0.0006 Å |
c | 15.869 ± 0.0008 Å |
α | 99.679 ± 0.002° |
β | 102.801 ± 0.002° |
γ | 91.935 ± 0.002° |
Cell volume | 1306.4 ± 0.12 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1688 |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for significantly intense reflections | 0.1162 |
Weighted residual factors for all reflections included in the refinement | 0.1545 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7247961.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.