Information card for entry 2222584

Structure parameters

• Chemical name: 1-Acetyl-<i>c</i>-3,<i>t</i>-3-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Formula: C21 H23 N O2
• Calculated formula: C21 H23 N O2
• SMILES: O=C(N1[C@@H](CC(=O)C([C@@H]1c1ccccc1)(C)C)c1ccccc1)C
• Title of publication: 1-Acetyl-<i>c</i>-3,<i>t</i>-3-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Authors of publication: Aravindhan, S.; Ponnuswamy, S.; Jamesh, M.; Ramesh, P.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1974
• a: 7.5622 ± 0.0004 Å
• b: 10.6369 ± 0.0005 Å
• c: 11.1497 ± 0.0007 Å
• α: 90°
• β: 100.373 ± 0.003°
• γ: 90°
• Cell volume: 882.21 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes