Information card for entry 2237747

Structure parameters

• Chemical name: 2,4-Bis(furan-2-yl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one
• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• SMILES: O=C1[C@]2(C)CCC[C@@]1(C)[C@H](N[C@H]2c1ccco1)c1ccco1
• Title of publication: 2,4-Bis(furan-2-yl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one
• Authors of publication: Venkateswaramoorthi, R.; Rizwana Begum, S.; Hema, R.; Krishnasamy, K.; Anitha, A.G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o768
• a: 21.268 ± 0.002 Å
• b: 6.7031 ± 0.0009 Å
• c: 22.303 ± 0.002 Å
• α: 90°
• β: 92.776 ± 0.006°
• γ: 90°
• Cell volume: 3175.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0598
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes