Information card for entry 2207742

Structure parameters

• Chemical name: 6,6a,11,14-Tetrahydro-8-hydroxy-9-methoxy-12H-benzo[a]- 1,3-benzodioxolo[4,5-g]quinolizine
• Formula: C19 H19 N O4
• Calculated formula: C19 H19 N O4
• SMILES: O1c2c(OC1)ccc1C[C@H]3N(CCc4cc(OC)c(O)cc34)Cc21
• Title of publication: Cheilanthifoline
• Authors of publication: Wang, Xiao-Ling; Li, Zong-Xiao; Qin, Guo-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o81 - o82
• a: 13.314 ± 0.002 Å
• b: 5.151 ± 0.001 Å
• c: 23.585 ± 0.003 Å
• α: 90°
• β: 100.39 ± 0.01°
• γ: 90°
• Cell volume: 1590.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes