Information card for entry 7133976

Structure parameters

• Chemical name: 4Bz-BzPh
• Formula: C52 H38 B2
• Calculated formula: C52 H38 B2
• Title of publication: One-step selective synthesis of doubly and triply fused chiral boroloborole derivatives
• Authors of publication: Bohlen, Josina L.; Wieprecht, Nele; Arrowsmith, Merle; Häfner, Alena; Neder, Marco; Braunschweig, Holger
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 20.9513 ± 0.0001 Å
• b: 15.1698 ± 0.0001 Å
• c: 23.2582 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7392.08 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• 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