Information card for entry 2240078

Structure parameters

• Chemical name: 2,6-Bis(2,5-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one
• Formula: C23 H29 N O5
• Calculated formula: C23 H29 N O5
• SMILES: [C@@H]1([C@@H](C(=O)[C@@H]([C@@H](c2c(ccc(c2)OC)OC)N1)C)C)c1cc(ccc1OC)OC
• Title of publication: Crystal structure of 2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one
• Authors of publication: Park, Dong Ho; Ramkumar, V.; Parthiban, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1160
• a: 11.1358 ± 0.0007 Å
• b: 9.4756 ± 0.0005 Å
• c: 20.4541 ± 0.0011 Å
• α: 90°
• β: 92.271 ± 0.002°
• γ: 90°
• Cell volume: 2156.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes