Information card for entry 7160205

Structure parameters

• Formula: C13 H13 F3 N2 S
• Calculated formula: C13 H13 F3 N2 S
• Title of publication: Silver-mediated radical cascade trifluoromethylthiolation/cyclization of benzimidazole derivatives with AgSCF₃.
• Authors of publication: Liu, Pan; Geng, Yang; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• a: 6.5464 ± 0.0004 Å
• b: 13.7584 ± 0.0008 Å
• c: 16.2007 ± 0.001 Å
• α: 67.284 ± 0.006°
• β: 85.636 ± 0.005°
• γ: 87.696 ± 0.005°
• Cell volume: 1341.98 ± 0.15 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: 0.133
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.3296
• Weighted residual factors for all reflections included in the refinement: 0.3717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No