Information card for entry 1544176

Structure parameters

• Common name: F3
• Chemical name: 2,2-difluoro-4-(furan-2-yl)-6-(4'-methoxy-[1,1'-biphenyl]-4-yl)-2H-1,3,2-dioxaborinin-1-ium-2-uide
• Formula: C20 H15 B F2 O4
• Calculated formula: C20 H15 B F2 O4
• SMILES: F[B]1(F)OC(=CC(=[O]1)c1occc1)c1ccc(c2ccc(OC)cc2)cc1
• Title of publication: Synthesis, characterization and properties of furan-containing difluoroboron complexes
• Authors of publication: Liu, Chun; Zhang, Hao; Zhao, Jianzhang
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 95
• Pages of publication: 92341 - 92348
• a: 8.808 Å
• b: 13.609 Å
• c: 14.247 Å
• α: 76.62°
• β: 87.56°
• γ: 88.26°
• Cell volume: 1659.53 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No