Information card for entry 4132623

Structure parameters

• Formula: C25 H17 B F10 S
• Calculated formula: C25 H17 B F10 S
• SMILES: S(c1ccc(cc1)C)/C(=C\C(C)(C)C)B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.
• Authors of publication: Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 26
• Pages of publication: 8119 - 8123
• a: 7.6225 ± 0.0016 Å
• b: 12.48 ± 0.003 Å
• c: 13.343 ± 0.003 Å
• α: 99.233 ± 0.005°
• β: 102.536 ± 0.005°
• γ: 98.225 ± 0.006°
• Cell volume: 1202 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1575
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No