Information card for entry 7118088

Structure parameters

• Formula: C23 H18 N2 O3 S
• Calculated formula: C23 H18 N2 O3 S
• SMILES: S(=O)(=O)(c1ccc(NC(=O)c2ccccc2)c2ncccc12)c1ccc(cc1)C
• 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: 9.4496 ± 0.0006 Å
• b: 10.255 ± 0.0005 Å
• c: 11.237 ± 0.0006 Å
• α: 102.651 ± 0.004°
• β: 93.971 ± 0.005°
• γ: 114.471 ± 0.005°
• Cell volume: 951.23 ± 0.1 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 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: 0.0478
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No