Information card for entry 4303432

Structure parameters

• Formula: C33 H27 B F15 Li O2 S
• Calculated formula: C33 H27 B F15 Li O2 S
• SMILES: [S]1([B](c2c(F)c(F)c(F)c(F)c2F)(c2c([F][Li]1([O](CC)CC)[O](CC)CC)c(F)c(F)c(F)c2F)c1c(F)c(F)c(F)c(F)c1F)c1ccc(cc1)C
• Title of publication: Heterolytic Cleavage of Disulfides by Frustrated Lewis Pairs
• Authors of publication: Meghan A. Dureen; Gregory C. Welch; Thomas M. Gilbert; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9910 - 9917
• a: 10.6303 ± 0.0003 Å
• b: 13.436 ± 0.0004 Å
• c: 13.9523 ± 0.0005 Å
• α: 89.076 ± 0.002°
• β: 67.826 ± 0.002°
• γ: 71.165 ± 0.002°
• Cell volume: 1733.84 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No