Information card for entry 7229394

Structure parameters

• Formula: C26 H21 Cl N2 O6 S
• Calculated formula: C26 H21 Cl N2 O6 S
• Title of publication: Iodobenzene-catalyzed synthesis of aryl sulfonate esters from aminoquinolines via remote radical C‒O cross-coupling
• Authors of publication: Shen, Chao; Yang, Ming; Xu, Jun; Chen, Chao; Zheng, Kai; Shen, Jiabing; Zhang, Pengfei
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 78
• Pages of publication: 49436
• a: 8.9158 ± 0.0009 Å
• b: 9.195 ± 0.0009 Å
• c: 29.183 ± 0.003 Å
• α: 90°
• β: 95.779 ± 0.002°
• γ: 90°
• Cell volume: 2380.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No