Information card for entry 1576372

Structure parameters

• Formula: C42 H37 B N2
• Calculated formula: C42 H37 B N2
• 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: 15.2932 ± 0.0004 Å
• b: 17.1503 ± 0.0004 Å
• c: 17.9798 ± 0.0006 Å
• α: 63.828 ± 0.003°
• β: 66.218 ± 0.003°
• γ: 89.465 ± 0.002°
• Cell volume: 3790.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• 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