Information card for entry 2218930

Structure parameters

• Chemical name: r-2,c-6-Bis(3-methoxyphenyl)-t-3,t-5-dimethylpiperidin-4-one
• Formula: C21 H25 N O3
• Calculated formula: C21 H25 N O3.001
• SMILES: COc1cccc(c1)[C@@H]1N[C@H](c2cccc(c2)OC)[C@H](C(=O)[C@H]1C)C
• Title of publication: <i>r</i>-2,<i>c</i>-6-Bis(3-methoxyphenyl)-<i>t</i>-3,<i>t</i>-5-dimethylpiperidin-4-one
• Authors of publication: Parthiban, P.; Ramkumar, V.; Kumar, Nanjundan Ashok; Kim, Jong Su; Jeong, Yeon Tae
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1631
• a: 20.9885 ± 0.0006 Å
• b: 9.7699 ± 0.0002 Å
• c: 19.8153 ± 0.0005 Å
• α: 90°
• β: 109.459 ± 0.002°
• γ: 90°
• Cell volume: 3831.15 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0902
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes