Information card for entry 7160923

Structure parameters

• Formula: C48 H56 B2 F24 N2 O6
• Calculated formula: C43.965 H45.245 B2 F22.38 N2 O6
• Title of publication: One-step synthesis of chiral multifluorine-substituted-alkoxy boranils using H3BO3 as boron source
• Authors of publication: Han, Shumi; Dou, Yingchao; Niu, Jun-Long
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 23.6425 ± 0.0008 Å
• b: 13.8768 ± 0.0008 Å
• c: 36.184 ± 0.0014 Å
• α: 90°
• β: 104.233 ± 0.003°
• γ: 90°
• Cell volume: 11506.9 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2687
• Weighted residual factors for all reflections included in the refinement: 0.3352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No