Information card for entry 2220387

Structure parameters

• Common name: piperidin-4-one
• Chemical name: r-2,c-6-Bis(4-methoxyphenyl)-c-3,t-3-dimethylpiperidin-4-one
• Formula: C21 H25 N O3
• Calculated formula: C21 H25 N O3
• SMILES: O(C)c1ccc([C@H]2N[C@H](CC(=O)C2(C)C)c2ccc(OC)cc2)cc1.O(C)c1ccc([C@@H]2N[C@@H](CC(=O)C2(C)C)c2ccc(OC)cc2)cc1
• Title of publication: <i>r</i>-2,<i>c</i>-6-Bis(4-methoxyphenyl)-<i>c</i>-3,<i>t</i>-3-dimethylpiperidin-4-one
• Authors of publication: Ponnuswamy, S.; Mohanraj, V.; Gayathri, P.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2328
• a: 5.9772 ± 0.0002 Å
• b: 23.0858 ± 0.0008 Å
• c: 26.7611 ± 0.0008 Å
• α: 90°
• β: 93.543 ± 0.003°
• γ: 90°
• Cell volume: 3685.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2175
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes