Information card for entry 2216527

Structure parameters

• Common name: piperidone
• Chemical name: t-3-Benzyl-1-formyl-r-2,c-6-diphenylpiperidin-4-one
• Formula: C25 H23 N O2
• Calculated formula: C25 H23 N O2
• SMILES: O=CN1[C@H]([C@@H](C(=O)C[C@H]1c1ccccc1)Cc1ccccc1)c1ccccc1.O=CN1[C@@H]([C@H](C(=O)C[C@@H]1c1ccccc1)Cc1ccccc1)c1ccccc1
• Title of publication: <i>t</i>-3-Benzyl-1-formyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Authors of publication: A. Thiruvalluvar; S. Balamurugan; R. J. Butcher; A. Manimekalai; J. Jayabharathi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4533 - o4533
• a: 10.5355 ± 0.0003 Å
• b: 9.3464 ± 0.0002 Å
• c: 21.0493 ± 0.0005 Å
• α: 90°
• β: 101.52 ± 0.003°
• γ: 90°
• Cell volume: 2030.95 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1067
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes