Information card for entry 4132625

Structure parameters

• Formula: C30 H22 B F10 N S
• Calculated formula: C30 H22 B F10 N S
• SMILES: S(c1ccc(cc1)C)/C(=C/C(C)(C)C)[B]([n]1ccccc1)(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: 10.054 ± 0.003 Å
• b: 12.313 ± 0.004 Å
• c: 23.109 ± 0.007 Å
• α: 90°
• β: 97.593 ± 0.016°
• γ: 90°
• Cell volume: 2835.7 ± 1.5 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: 0.1286
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No