Information card for entry 4130150

Structure parameters

• Chemical name: 2,2'-(thiophene-2,5-diylbis((perfluorophenyl)boranediyl))- bis(N,N-dimethylaniline)
• Formula: C35 H29 B2 F10 N2 S
• Calculated formula: C35 H29 B2 F10 N2 S
• Title of publication: Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.
• Authors of publication: Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 14
• Pages of publication: 4860 - 4868
• a: 13.185 ± 0.001 Å
• b: 9.417 ± 0.001 Å
• c: 26.849 ± 0.002 Å
• α: 90°
• β: 93.44 ± 0.01°
• γ: 90°
• Cell volume: 3327.6 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0724
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No