Information card for entry 7118089

Structure parameters

• Formula: C24 H20 N2 O4 S
• Calculated formula: C24 H20 N2 O4 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)c1cc(OC)c2c(nccc2)c1NC(=O)c1ccccc1
• Title of publication: Selective remote C-H sulfonylation of aminoquinolines with arylsulfonyl chlorides via copper catalysis
• Authors of publication: Hong-Wen Liang; Kun Jiang; Wei Ding; Yi Yuan; Li Shuai; Ying-Chun Chen; Ye Wei
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16928
• a: 7.261 ± 0.005 Å
• b: 9.44 ± 0.005 Å
• c: 15.434 ± 0.005 Å
• α: 92.805 ± 0.005°
• β: 95.279 ± 0.005°
• γ: 96.848 ± 0.005°
• Cell volume: 1044 ± 1 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: 0.0498
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No