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Information card for entry 2204282
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| Coordinates | 2204282.cif |
|---|---|
| Structure factors | 2204282.hkl |
| Original IUCr paper | HTML |
| Common name | venlafaxine |
|---|---|
| Chemical name | 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol |
| Formula | C17 H27 N O2 |
| Calculated formula | C17 H27 N O2 |
| SMILES | OC1(C(CN(C)C)c2ccc(OC)cc2)CCCCC1 |
| Title of publication | Venlafaxine, an antidepressant drug |
| Authors of publication | Limor Tessler; Israel Goldberg |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 10 |
| Pages of publication | o1868 - o1869 |
| a | 8.267 ± 0.0002 Å |
| b | 8.8246 ± 0.0002 Å |
| c | 21.4946 ± 0.0006 Å |
| α | 90° |
| β | 92.213 ± 0.0008° |
| γ | 90° |
| Cell volume | 1566.93 ± 0.07 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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