Information card for entry 1576377

Structure parameters

• Formula: C40 H29 B
• Calculated formula: C40 H29 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: 21.2409 ± 0.0001 Å
• b: 14.479 ± 0.0001 Å
• c: 38.636 ± 0.0002 Å
• α: 90°
• β: 100.987 ± 0.001°
• γ: 90°
• Cell volume: 11664.6 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• 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