Information card for entry 1574398

Structure parameters

• Formula: C23 H17 B Cl2 F4 S2
• Calculated formula: C23 H17 B Cl2 F4 S2
• Title of publication: Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization
• Authors of publication: Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 8262 - 8267
• a: 10.3623 ± 0.0003 Å
• b: 10.749 ± 0.0003 Å
• c: 11.4494 ± 0.0003 Å
• α: 65.158 ± 0.001°
• β: 86.14 ± 0.001°
• γ: 73.882 ± 0.001°
• Cell volume: 1110.01 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: single crystal
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No