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Information card for entry 7216525
Preview
| Coordinates | 7216525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 60:40 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution |
|---|---|
| Formula | C11 H16 Br0.4 Cl0.6 N O |
| Calculated formula | C11 H16 Br0.4035 Cl0.5965 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 | 10.1409 ± 0.0011 Å |
| b | 22.488 ± 0.003 Å |
| c | 10.4979 ± 0.0011 Å |
| α | 90° |
| β | 90.359 ± 0.008° |
| γ | 90° |
| Cell volume | 2394 ± 0.5 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 | 0.1608 |
| Residual factor for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections | 0.4127 |
| Weighted residual factors for significantly intense reflections | 0.3897 |
| Weighted residual factors for all reflections included in the refinement | 0.4127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.5578 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7216525.cif |
| 119399 | 2014-07-07 | cif/ Updating files of 7216513, 7216514, 7216515, 7216516, 7216517, 7216518, 7216519, 7216520, 7216521, 7216522, 7216523, 7216524, 7216525, 7216526 Original log message: Adding full bibliography for 7216513--7216526.cif. |
7216525.cif |
| 116419 | 2014-06-11 | cif/ Adding structures of 7216513, 7216514, 7216515, 7216516, 7216517, 7216518, 7216519, 7216520, 7216521, 7216522, 7216523, 7216524, 7216525, 7216526 via cif-deposit CGI script. |
7216525.cif |
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Users of the data should acknowledge the original authors of the
structural data.