Information card for entry 2217392

Structure parameters

• Chemical name: r-2,c-6-Bis(4-fluorophenyl)-t-3,t-5-dimethylpiperidin-4-one
• Formula: C19 H19 F2 N O
• Calculated formula: C19 H19 F2 N O
• SMILES: [C@H]1([C@H](C(=O)[C@H]([C@H](c2ccc(cc2)F)N1)C)C)c1ccc(cc1)F
• Title of publication: <i>r</i>-2,<i>c</i>-6-Bis(4-fluorophenyl)-<i>t</i>-3,<i>t</i>-5-dimethylpiperidin-4-one
• Authors of publication: D. Gayathri; D. Velmurugan; G. Aridoss; S. Kabilan; K. Ravikumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o429 - o429
• a: 7.383 ± 0.0006 Å
• b: 24.0102 ± 0.0019 Å
• c: 9.4278 ± 0.0007 Å
• α: 90°
• β: 101.727 ± 0.001°
• γ: 90°
• Cell volume: 1636.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0772
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes