Information card for entry 7157952

Structure parameters

• Formula: C20 H16 F3 N O4 S3
• Calculated formula: C20 H16 F3 N O4 S3
• SMILES: S(=O)(=N[S+]1c2c(c3c1cccc3)cccc2)(C)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: 5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.
• Authors of publication: Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 2941 - 2948
• a: 10.8928 ± 0.001 Å
• b: 26.053 ± 0.002 Å
• c: 7.3295 ± 0.0005 Å
• α: 90°
• β: 103.374 ± 0.003°
• γ: 90°
• Cell volume: 2023.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No