Information card for entry 4037878

Structure parameters

• Formula: C20 H21 N O3 S
• Calculated formula: C20 H21 N O3 S
• SMILES: S(=O)(=O)(N1c2c(C[C@@]3(OC(=C[C@H]13)C)C)cccc2)c1ccc(cc1)C.S(=O)(=O)(N1c2c(C[C@]3(OC(=C[C@@H]13)C)C)cccc2)c1ccc(cc1)C
• Title of publication: Synthesis of Furo[3,2-b]quinolines and Furo[2,3-b:4,5-b']diquinolines through [4+2] Cycloaddition of Aza-o-Quinone Methides and Furans.
• Authors of publication: Lei, Lu; Yao, Yi-Yun; Jiang, Li-Juan; Lu, Xiuqiang; Liang, Cui; Mo, Dong-Liang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.6913 ± 0.0003 Å
• b: 16.8368 ± 0.0003 Å
• c: 11.7014 ± 0.0003 Å
• α: 90°
• β: 108.615 ± 0.003°
• γ: 90°
• Cell volume: 1809.44 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No