Information card for entry 1514844

Structure parameters

• Formula: C36 H32 B F10 O2 P S
• Calculated formula: C36 H32 B F10 O2 P S
• SMILES: [P+]1(S(OB([C@@H]2[C@@H]1CCCC2)(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.[P+]1(S(OB([C@H]2[C@H]1CCCC2)(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: 10.5993 ± 0.0004 Å
• b: 11.865 ± 0.0004 Å
• c: 14.4165 ± 0.0009 Å
• α: 92.7 ± 0.003°
• β: 95.322 ± 0.002°
• γ: 111.03 ± 0.004°
• Cell volume: 1678.66 ± 0.14 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: 0.0534
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No