Information card for entry 7153168

Structure parameters

• Formula: C23 H17 F3 N2 O2 S
• Calculated formula: C23 H17 F3 N2 O2 S
• Title of publication: Cu-catalyzed tandem reactions of fluorinated alkynes with sulfonyl azides en route to 2-trifluoromethylquinolines.
• Authors of publication: Li, Yajun; Zhang, Lisi; Zhang, Li; Wu, Yongming; Gong, Yuefa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 42
• Pages of publication: 7267 - 7270
• a: 10.2744 ± 0.0009 Å
• b: 10.3315 ± 0.0009 Å
• c: 20.5699 ± 0.0017 Å
• α: 103.339 ± 0.002°
• β: 93.337 ± 0.002°
• γ: 91.687 ± 0.002°
• Cell volume: 2118.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No