Information card for entry 2223883

Structure parameters

• Common name: piperidin-4-one
• Chemical name: 1-Formyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)-<i>t</i>-3- methylpiperidin-4-one
• Formula: C21 H23 N O4
• Calculated formula: C21 H23 N O4
• SMILES: COc1ccc(cc1)[C@H]1CC(=O)[C@@H]([C@H](N1C=O)c1ccc(cc1)OC)C.COc1ccc(cc1)[C@@H]1CC(=O)[C@H]([C@@H](N1C=O)c1ccc(cc1)OC)C
• Title of publication: 1-Formyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)-<i>t</i>-3-methylpiperidin-4-one
• Authors of publication: Gayathri, P.; Sakthivel, P.; Ponnuswamy, S.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2813
• a: 11.5409 ± 0.0004 Å
• b: 12.4972 ± 0.0005 Å
• c: 14.7816 ± 0.0006 Å
• α: 67.878 ± 0.004°
• β: 74.719 ± 0.003°
• γ: 67.123 ± 0.004°
• Cell volume: 1802.42 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes