Information card for entry 4037882

Structure parameters

• Formula: C33 H32 N2 O5 S2
• Calculated formula: C33 H32 N2 O5 S2
• SMILES: S(=O)(=O)(N1c2ccccc2C[C@@H]2O[C@H]3N(S(=O)(=O)c4ccc(cc4)C)c4c(C[C@H]3[C@H]12)cc(cc4)C)c1ccc(cc1)C.S(=O)(=O)(N1c2ccccc2C[C@H]2O[C@@H]3N(S(=O)(=O)c4ccc(cc4)C)c4c(C[C@@H]3[C@@H]12)cc(cc4)C)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: 9.9394 ± 0.0009 Å
• b: 11.9322 ± 0.001 Å
• c: 13.6398 ± 0.0006 Å
• α: 70.892 ± 0.006°
• β: 77.159 ± 0.007°
• γ: 86.585 ± 0.007°
• Cell volume: 1490.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No