Information card for entry 7158050

Structure parameters

• Formula: C58 H20 F20 O4 Sb2
• Calculated formula: C58 H20 F20 O4 Sb2
• SMILES: [Sb]123([O](c4c(O5)c6c(F)c(F)c(F)c(F)c6c6c(F)c(F)c(F)c(F)c46)[Sb]5([O]1c1c(O2)c2c(F)c(F)c(F)c(F)c2c2c(F)c(F)c(F)c(F)c12)(c1c3c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 29.7448 ± 0.0012 Å
• b: 10.3503 ± 0.0004 Å
• c: 31.5033 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9698.8 ± 0.7 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No