Information card for entry 7135665

Structure parameters

• Formula: C27 H20 B4 Br6 Cl2 N4
• Calculated formula: C27 H20 B4 Br6 Cl2 N4
• Title of publication: Attempted halogenation of ambiphilic 1,2,3-benzodiazaborines: Balancing Lewis acidity and Lewis basicity
• Authors of publication: Wüst, Leonie; Wellnitz, Tim; Radacki, Krzysztof; Nees, Samuel; Braunschweig, Holger
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 25.1025 ± 0.0005 Å
• b: 7.0534 ± 0.0002 Å
• c: 35.765 ± 0.001 Å
• α: 90°
• β: 90.423 ± 0.003°
• γ: 90°
• Cell volume: 6332.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.078
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No