Information card for entry 2218842

Structure parameters

• Common name: piperidin-4-one derivative
• Chemical name: t-3-Benzyl-r-2,c-6-bis(4-methoxyphenyl)piperidin-4-one
• Formula: C26 H27 N O3
• Calculated formula: C26 H27 N O3
• SMILES: O(C)c1ccc([C@@H]2N[C@@H](CC(=O)[C@H]2Cc2ccccc2)c2ccc(OC)cc2)cc1.O(C)c1ccc([C@H]2N[C@H](CC(=O)[C@@H]2Cc2ccccc2)c2ccc(OC)cc2)cc1
• Title of publication: <i>t</i>-3-Benzyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)piperidin-4-one
• Authors of publication: Jayabharathi, J.; Thangamani, A.; Balamurugan, S.; Thiruvalluvar, A.; Linden, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1181
• a: 5.5612 ± 0.0002 Å
• b: 13.8097 ± 0.0005 Å
• c: 14.5119 ± 0.0006 Å
• α: 71.629 ± 0.002°
• β: 79.928 ± 0.002°
• γ: 82.526 ± 0.002°
• Cell volume: 1038.04 ± 0.07 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes