Information card for entry 2213650

Structure parameters

• Common name: bis-(2'-furyl)piperidin-4-one
• Chemical name: <i>N</i>-Benzoyl-r-2,c-6-di-2-furyl-t-3-methylpiperidin-4-one
• Formula: C21 H19 N O4
• Calculated formula: C21 H19 N O4
• SMILES: O=C1[C@H]([C@@H](N([C@@H](C1)c1occc1)C(=O)c1ccccc1)c1occc1)C.O=C1[C@@H]([C@H](N([C@H](C1)c1occc1)C(=O)c1ccccc1)c1occc1)C
• Title of publication: <i>N</i>-Benzoyl-<i>r</i>-2,<i>c</i>-6-di-2-furyl-<i>t</i>-3-methylpiperidin-4-one
• Authors of publication: Thiruvalluvar, A.; Balamurugan, S.; Manimekalai, A.; Selvaraju, K.; Maruthavanan, T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2909 - o2909
• a: 20.5162 ± 0.0005 Å
• b: 8.9727 ± 0.0003 Å
• c: 19.0466 ± 0.0006 Å
• α: 90°
• β: 91.395 ± 0.002°
• γ: 90°
• Cell volume: 3505.17 ± 0.18 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes