Information card for entry 2220867

Structure parameters

• Chemical name: 1,3-Dimethyl-2,6-diphenylpiperidin-4-one
• Formula: C19 H21 N O
• Calculated formula: C19 H21 N O
• SMILES: N1([C@@H](CC(=O)[C@H]([C@@H]1c1ccccc1)C)c1ccccc1)C.N1([C@H](CC(=O)[C@@H]([C@H]1c1ccccc1)C)c1ccccc1)C
• Title of publication: 1,3-Dimethyl-2,6-diphenylpiperidin-4-one
• Authors of publication: Nithya, P.; Hathwar, Venkatesha R.; Maiyalagan, T.; Kazak, Canan; Nawaz Khan, F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o439
• a: 5.9201 ± 0.0002 Å
• b: 10.9749 ± 0.0003 Å
• c: 12.8247 ± 0.0003 Å
• α: 80.2961 ± 0.0012°
• β: 86.673 ± 0.002°
• γ: 76.4499 ± 0.0011°
• Cell volume: 798.32 ± 0.04 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes