Information card for entry 2233371

Structure parameters

• Chemical name: 2,6-Bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-one <i>O</i>-benzyloxime
• Formula: C28 H32 N2 O3
• Calculated formula: C28 H32 N2 O3
• SMILES: [C@H]1([C@H](/C(=N/OCc2ccccc2)C[C@H](c2ccc(cc2)OC)N1C)C)c1ccc(cc1)OC.[C@@H]1([C@@H](/C(=N/OCc2ccccc2)C[C@@H](c2ccc(cc2)OC)N1C)C)c1ccc(cc1)OC
• Title of publication: 2,6-Bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-one <i>O</i>-benzyloxime
• Authors of publication: Park, Dong Ho; Ramkumar, V.; Parthiban, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o524
• a: 16.674 ± 0.005 Å
• b: 19.819 ± 0.008 Å
• c: 7.549 ± 0.001 Å
• α: 90°
• β: 90.08 ± 0.005°
• γ: 90°
• Cell volume: 2494.7 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0877
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes