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Information card for entry 2020323
Preview
| Coordinates | 2020323.cif |
|---|---|
| Structure factors | 2020323.hkl |
| Original IUCr paper | HTML |
| Common name | Alpha-pyrrolidinopentiophenone chloride hydrate |
|---|---|
| Chemical name | 1-(1-Oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride 0.786-hydrate |
| Formula | C15 H23.57 Cl N O1.79 |
| Calculated formula | C15 H23.572 Cl N O1.786 |
| Title of publication | The dangerous new synthetic drug α-PVP as the hydrated chloride salt α-pyrrolidinopentiophenone hydrochloride 0.786-hydrate |
| Authors of publication | Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 48 - 51 |
| a | 13.9428 ± 0.0003 Å |
| b | 9.3285 ± 0.0002 Å |
| c | 13.6865 ± 0.0003 Å |
| α | 90° |
| β | 119.273 ± 0.001° |
| γ | 90° |
| Cell volume | 1552.82 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181873 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020323.cif 2020323.hkl |
| 176628 | 2016-02-17 | cif/ Updating files of 2020323 Original log message: Adding full bibliography for 2020323.cif. |
2020323.cif 2020323.hkl |
| 176576 | 2016-02-17 | cif/ Updating files of 2020323 Original log message: Adding full bibliography for 2020323.cif. |
2020323.cif 2020323.hkl |
| 171634 | 2015-12-20 | cif/ hkl/ Adding structures of 2020323 via cif-deposit CGI script. |
2020323.cif 2020323.hkl |
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Users of the data should acknowledge the original authors of the
structural data.