Information card for entry 7133974

Structure parameters

• Chemical name: 3Bz-Ph
• Formula: C26 H18 B2 Cl2
• Calculated formula: C26 H18 B2 Cl2
• 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: 8.5722 ± 0.0003 Å
• b: 12.2762 ± 0.0004 Å
• c: 21.3971 ± 0.0005 Å
• α: 95.172 ± 0.002°
• β: 93.665 ± 0.002°
• γ: 109.945 ± 0.003°
• Cell volume: 2097.22 ± 0.12 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: 0.0809
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• 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