Information card for entry 4127621

Structure parameters

• Formula: C61 H73 B4 F3 N4 O7 S
• Calculated formula: C61 H73 B4 F3 N4 O7 S
• Title of publication: Single and Double Hydroboration of B-B Triple Bonds and Convergent Routes to a Cationic Tetraborane.
• Authors of publication: Brückner, Tobias; Stennett, Tom E.; Heß, Merlin; Braunschweig, Holger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 37
• Pages of publication: 14898 - 14903
• a: 20.3578 ± 0.0007 Å
• b: 15.3176 ± 0.0005 Å
• c: 19.7253 ± 0.0006 Å
• α: 90°
• β: 98.675 ± 0.001°
• γ: 90°
• Cell volume: 6080.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1095
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2562
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No