Information card for entry 2230994

Structure parameters

• Common name: gamma-fagarine
• Chemical name: 4,8-Dimethoxyfuro[2,3-b]quinoline
• Formula: C13 H11 N O3
• Calculated formula: C13 H11 N O3
• SMILES: c1cc2c(c3cccc(c3nc2o1)OC)OC
• Title of publication: 4,8-Dimethoxyfuro[2,3-<i>b</i>]quinoline (γ-fagarine)
• Authors of publication: Liu, Yong; Wei, Kou; Yang, Jianshe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1907
• a: 12.491 ± 0.005 Å
• b: 12.155 ± 0.005 Å
• c: 14.466 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2196.3 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes