Information card for entry 7132092

Structure parameters

• Formula: C33 H45 F6 N3 O6 S2
• Calculated formula: C32.999 H45 F5.997 N3 O5.997 S1.999
• Title of publication: Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system
• Authors of publication: Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.4326 ± 0.0019 Å
• b: 11.413 ± 0.002 Å
• c: 18.825 ± 0.004 Å
• α: 79.77 ± 0.03°
• β: 82.21 ± 0.03°
• γ: 76.6 ± 0.03°
• Cell volume: 1930.6 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1372
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No