Information card for entry 2224490

Structure parameters

• Common name: piperidin-4-one
• Chemical name: <i>t</i>-3-Pentyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Formula: C22 H27 N O
• Calculated formula: C22 H27 N O
• SMILES: O=C1[C@@H]([C@H](N[C@H](C1)c1ccccc1)c1ccccc1)CCCCC.O=C1[C@H]([C@@H](N[C@@H](C1)c1ccccc1)c1ccccc1)CCCCC
• Title of publication: <i>t</i>-3-Pentyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Authors of publication: Gayathri, P.; Jayabharathi, J.; Rajarajan, G.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3083
• a: 12.2318 ± 0.0005 Å
• b: 5.5879 ± 0.0002 Å
• c: 26.9977 ± 0.001 Å
• α: 90°
• β: 94.377 ± 0.003°
• γ: 90°
• Cell volume: 1839.91 ± 0.12 ų
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes