Information card for entry 2226078

Structure parameters

• Chemical name: 1-Formyl-<i>t</i>-3,<i>t</i>-5-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Formula: C20 H21 N O2
• Calculated formula: C20 H21 N O2
• SMILES: O=CN1[C@H]([C@@H](C(=O)[C@@H]([C@H]1c1ccccc1)C)C)c1ccccc1.O=CN1[C@@H]([C@H](C(=O)[C@H]([C@@H]1c1ccccc1)C)C)c1ccccc1
• Title of publication: 1-Formyl-<i>t</i>-3,<i>t</i>-5-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Authors of publication: Ravichandran, K.; Ramesh, P.; Sakthivel, P.; Ponnuswamy, S.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1505
• a: 7.4303 ± 0.0004 Å
• b: 15.3567 ± 0.0006 Å
• c: 29.6732 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3385.9 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes