Information card for entry 1576365

Structure parameters

• Formula: C35 H39 B
• Calculated formula: C35 H39 B
• Title of publication: Boraindenes as versatile precursors to benzannulated boron heterocycles
• Authors of publication: Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Neder, Marco; Häfner, Andreas; Karg, Jordan; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 9.5538 ± 0.0004 Å
• b: 10.0705 ± 0.0003 Å
• c: 15.4814 ± 0.0005 Å
• α: 106.738 ± 0.003°
• β: 90.918 ± 0.003°
• γ: 99.982 ± 0.003°
• Cell volume: 1401.35 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2517
• Weighted residual factors for all reflections included in the refinement: 0.2749
• 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: Yes
• Has Fobs: No