Information card for entry 2208847

Structure parameters

• Common name: piperidine-4-one
• Chemical name: 1-Acetyl-3-ethyl-r-2,c-6-di-2-furylpiperidin-4-one
• Formula: C17 H19 N O4
• Calculated formula: C17 H19 N O4
• SMILES: O=C(N1[C@H]([C@@H](C(=O)C[C@H]1c1occc1)CC)c1occc1)C.O=C(N1[C@@H]([C@H](C(=O)C[C@@H]1c1occc1)CC)c1occc1)C
• Title of publication: 1-Acetyl-3-ethyl-<i>r</i>-2,<i>c</i>-6-di-2-furylpiperidin-4-one
• Authors of publication: S. Balamurugan; A. Thiruvalluvar; A. Manimekalai; K. Selvaraju; T. Maruthavanan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2005 - o2006
• a: 8.036 ± 0.004 Å
• b: 8.5608 ± 0.0015 Å
• c: 22.18 ± 0.007 Å
• α: 90°
• β: 91.05 ± 0.03°
• γ: 90°
• Cell volume: 1525.6 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No