Information card for entry 7158047

Structure parameters

• Formula: C74 H56 F21 N O4 Sb2
• Calculated formula: C74 H56 F21 N O4 Sb2
• SMILES: [Sb]12([F][Sb]3(Oc4c(O3)c3c(F)c(F)c(F)c(F)c3c3c(F)c(F)c(F)c(F)c43)(c3c2c(F)c(F)c(F)c3F)(c2ccccc2)c2ccccc2)(Oc2c(O1)c1c(F)c(F)c(F)c(F)c1c1c(F)c(F)c(F)c(F)c21)(c1ccccc1)c1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.
• Authors of publication: You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 22
• Pages of publication: 4949 - 4957
• a: 21.576 Å
• b: 13.045 Å
• c: 24.513 Å
• α: 90°
• β: 105.31°
• γ: 90°
• Cell volume: 6654.55 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• 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: 0.0314
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No