Information card for entry 4037881

Structure parameters

• Formula: C28 H27 Cl N2 O4 S2
• Calculated formula: C28 H27 Cl N2 O4 S2
• SMILES: S(=O)(=O)(Nc1c(CN(S(=O)(=O)c2ccc(cc2)C)c2c(CCl)cccc2)cccc1)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: 8.35 ± 0.004 Å
• b: 11.844 ± 0.005 Å
• c: 27.87 ± 0.013 Å
• α: 90°
• β: 92.594 ± 0.007°
• γ: 90°
• Cell volume: 2753 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No