Information card for entry 2224147

Structure parameters

• Chemical name: 2,6-Bis(3-methoxyphenyl)-3-methylpiperidin-4-one
• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: O=C1C[C@@H](N[C@@H]([C@H]1C)c1cc(OC)ccc1)c1cc(OC)ccc1.O=C1C[C@H](N[C@H]([C@@H]1C)c1cc(OC)ccc1)c1cc(OC)ccc1
• Title of publication: 2,6-Bis(3-methoxyphenyl)-3-methylpiperidin-4-one
• Authors of publication: Nithya, P.; Khan, F. Nawaz; Novanna, Motakatla; Hathwar, Venkatesha R.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2984
• a: 28.695 ± 0.003 Å
• b: 10.9717 ± 0.0012 Å
• c: 11.3946 ± 0.0013 Å
• α: 90°
• β: 95.078 ± 0.002°
• γ: 90°
• Cell volume: 3573.3 ± 0.7 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes