Information card for entry 2200611

Structure parameters

• Common name: piperidine
• Chemical name: 2,6-Diphenyl-3-isopropylpiperidin-4-one
• Formula: C20 H23 N O
• Calculated formula: C20 H23 N O
• SMILES: CC([C@@H]1C(=O)C[C@H](N[C@H]1c1ccccc1)c1ccccc1)C.CC([C@H]1C(=O)C[C@@H](N[C@@H]1c1ccccc1)c1ccccc1)C
• Title of publication: 2,6-Diphenyl-3-isopropylpiperidin-4-one
• Authors of publication: M. Nilofar Nissa; D. Velmurugan; S. Narasimhan; V. Rajagopal; Moon-Jib Kim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o996 - o998
• a: 11.6008 ± 0.0008 Å
• b: 13.459 ± 0.003 Å
• c: 12.0597 ± 0.0012 Å
• α: 90°
• β: 118.611 ± 0.009°
• γ: 90°
• Cell volume: 1653 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1832
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes