Information card for entry 4132622

Structure parameters

• Formula: C33 H23 B F10 S
• Calculated formula: C33 H23 B F10 S
• SMILES: [S+]1(c2ccc(C)cc2)/C(=C\C(C)(C)C)[B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)C=C1c1ccccc1
• 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: 18.681 ± 0.0016 Å
• b: 11.4846 ± 0.0016 Å
• c: 28.874 ± 0.003 Å
• α: 90°
• β: 108.779 ± 0.005°
• γ: 90°
• Cell volume: 5865 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No