Information card for entry 2218265

Structure parameters

• Chemical name: (3<i>S</i>,4<i>R</i>)-4-(4-Fluorophenyl)-3-(hydroxymethyl)piperidinium chloride
• Formula: C12 H17 Cl F N O
• Calculated formula: C12 H17 Cl F N O
• SMILES: Fc1ccc(cc1)[C@H]1[C@@H](C[NH2+]CC1)CO.[Cl-]
• Title of publication: (3<i>S</i>,4<i>R</i>)-4-(4-Fluorophenyl)-3-(hydroxymethyl)piperidinium chloride
• Authors of publication: Nirmala, M; Sreekanth, B. R.; Vishweshwar, Peddy; Moses Babu, J.; Anjaneyulu, Y
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o800
• a: 7.697 ± 0.004 Å
• b: 5.958 ± 0.003 Å
• c: 13.393 ± 0.008 Å
• α: 90°
• β: 95.505 ± 0.005°
• γ: 90°
• Cell volume: 611.4 ± 0.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes