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Information card for entry 7216522
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Coordinates | 7216522.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (±)-4'-methylmethcathinone Hydrobromide |
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Formula | C11 H16 Br N O |
Calculated formula | C11 H16 Br N O |
SMILES | Cc1ccc(cc1)C(=O)C(C)[NH2+]C.[Br-] |
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 | 5.7804 ± 0.0004 Å |
b | 19.7971 ± 0.0014 Å |
c | 10.5967 ± 0.0006 Å |
α | 90° |
β | 100.841 ± 0.003° |
γ | 90° |
Cell volume | 1190.99 ± 0.14 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
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 | 0.0333 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for all reflections | 0.0706 |
Weighted residual factors for significantly intense reflections | 0.0668 |
Weighted residual factors for all reflections included in the refinement | 0.0706 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9801 |
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/7216522.html
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