Information card for entry 2213713

Structure parameters

• Common name: di-2-furylpiperidin-4-one
• Chemical name: t-3-Benzyl-r-2,c-6-di-2-furylpiperidin-4-one
• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• SMILES: O=C1[C@H]([C@@H](N[C@@H](C1)c1occc1)c1occc1)Cc1ccccc1.O=C1[C@@H]([C@H](N[C@H](C1)c1occc1)c1occc1)Cc1ccccc1
• Title of publication: <i>t</i>-3-Benzyl-<i>r</i>-2,<i>c</i>-6-di-2-furylpiperidin-4-one
• Authors of publication: Thiruvalluvar, A.; Balamurugan, S.; Jayabharathi, J.; Manimekalai, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2910 - o2910
• a: 5.443 ± 0.005 Å
• b: 21.437 ± 0.005 Å
• c: 14.108 ± 0.005 Å
• α: 90°
• β: 91.037 ± 0.005°
• γ: 90°
• Cell volume: 1645.9 ± 1.7 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.1088
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes