Information card for entry 1514843

Structure parameters

• Formula: C33 H28 B F10 O2 P S
• Calculated formula: C33 H28 B F10 O2 P S
• SMILES: [P+]1(S(O[B](CC1C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)=O)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Reactions of phosphorus/boron frustrated Lewis pairs with SO2
• Authors of publication: Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 213
• a: 13.2898 ± 0.0003 Å
• b: 13.3521 ± 0.0006 Å
• c: 22.579 ± 0.0009 Å
• α: 73.392 ± 0.003°
• β: 73.073 ± 0.003°
• γ: 83.328 ± 0.004°
• Cell volume: 3670.7 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No