Information card for entry 4132621

Structure parameters

• Formula: C19 H13 B F10 S
• Calculated formula: C19 H13 B F10 S
• 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: 19.669 ± 0.006 Å
• b: 10.679 ± 0.002 Å
• c: 20.378 ± 0.004 Å
• α: 90°
• β: 117.285 ± 0.007°
• γ: 90°
• Cell volume: 3804.1 ± 1.6 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: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No