Information card for entry 2217265

Structure parameters

• Common name: piperidin-4-one
• Chemical name: t-3-Ethyl-r-2,c-6-bis(2-furyl)piperidin-4-one
• Formula: C15 H17 N O3
• Calculated formula: C15 H17 N O3
• SMILES: O=C1[C@@H]([C@H](N[C@H](C1)c1occc1)c1occc1)CC.O=C1[C@H]([C@@H](N[C@@H](C1)c1occc1)c1occc1)CC
• Title of publication: <i>t</i>-3-Ethyl-<i>r</i>-2,<i>c</i>-6-bis(2-furyl)piperidin-4-one
• Authors of publication: S. Balamurugan; A. Thiruvalluvar; R. J. Butcher; A. Manimekalai; J. Jayabharathi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o59 - o59
• a: 5.162 ± 0.0002 Å
• b: 20.2855 ± 0.0009 Å
• c: 12.9825 ± 0.0005 Å
• α: 90°
• β: 91.128 ± 0.003°
• γ: 90°
• Cell volume: 1359.18 ± 0.1 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: 0.083
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes