Information card for entry 4132624

Structure parameters

• Formula: C28 H20 B F10 N S
• Calculated formula: C28 H20 B F10 N S
• SMILES: Fc1c(F)c(c(c([B](C(=C\C(C)(C)C)\Sc2ccc(cc2)C)([N]#CC=C)c2c(c(F)c(F)c(F)c2F)F)c1F)F)F
• 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: 9.3368 ± 0.0006 Å
• b: 17.8578 ± 0.0009 Å
• c: 16.328 ± 0.0011 Å
• α: 90°
• β: 101.12 ± 0.002°
• γ: 90°
• Cell volume: 2671.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No