Information card for entry 1576376

Structure parameters

• Formula: C27 H21 B O
• Calculated formula: C27 H21 B O
• 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: 21.127 ± 0.0003 Å
• b: 5.9644 ± 0.0001 Å
• c: 33.0481 ± 0.0004 Å
• α: 90°
• β: 106.702 ± 0.001°
• γ: 90°
• Cell volume: 3988.7 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• 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