Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7216524
Preview
Coordinates | 7216524.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 30:70 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution |
---|---|
Formula | C11 H16 Br0.72 Cl0.28 N O |
Calculated formula | C11 H16 Br0.7185 Cl0.2815 N O |
Title of publication | Drug solid solutions ‒ a method for tuning phase transformations |
Authors of publication | Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 26 |
Pages of publication | 5827 |
a | 10.2017 ± 0.0006 Å |
b | 22.3376 ± 0.0013 Å |
c | 10.5639 ± 0.0006 Å |
α | 90° |
β | 90.157 ± 0.003° |
γ | 90° |
Cell volume | 2407.3 ± 0.2 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0399 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for all reflections | 0.0701 |
Weighted residual factors for significantly intense reflections | 0.0628 |
Weighted residual factors for all reflections included in the refinement | 0.0701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0075 |
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/7216524.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.