Information card for entry 7156665

Structure parameters

• Formula: C25 H21 N3 O4 S
• Calculated formula: C25 H21 N3 O4 S
• Title of publication: N-Fluorobenzenesulfonimide as a highly effective Ag(i)-catalyst attenuator for tryptamine-derived ynesulfonamide cycloisomerization.
• Authors of publication: Pang, Yadong; Liang, Guoduan; Xie, Fukai; Hu, Haibin; Du, Chuan; Zhang, Xinhang; Cheng, Maosheng; Lin, Bin; Liu, Yongxiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 2247 - 2257
• a: 16.3438 ± 0.0002 Å
• b: 12.83299 ± 0.00016 Å
• c: 10.54089 ± 0.00014 Å
• α: 90°
• β: 107.083 ± 0.0014°
• γ: 90°
• Cell volume: 2113.3 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No