Information card for entry 7133972

Structure parameters

• Chemical name: 3Bz-Ph
• Formula: C40 H30 B2 Cl2
• Calculated formula: C40 H30 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: 13.0142 ± 0.0003 Å
• b: 12.5146 ± 0.0004 Å
• c: 19.1376 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3116.89 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• 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