Information card for entry 1544177

Structure parameters

• Common name: F2
• Chemical name: 2,2-difluoro-4-(furan-2-yl)-6-(4-(naphthalen-2-yl)phenyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide
• Formula: C23 H15 B F2 O3
• Calculated formula: C23 H15 B F2 O3
• SMILES: O1C(=CC(=[O][B]1(F)F)c1ccc(c2cc3c(cccc3)cc2)cc1)c1occc1
• 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: 16.88 Å
• b: 9.056 Å
• c: 11.782 Å
• α: 90°
• β: 97.5°
• γ: 90°
• Cell volume: 1785.65 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0879
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No