Information card for entry 7133973

Structure parameters

• Chemical name: 3Naph-Ph
• Formula: C38 H26 B2 Br2
• Calculated formula: C38 H26 B2 Br2
• 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 (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 99
• Pages of publication: 14782 - 14785
• a: 9.8022 ± 0.0001 Å
• b: 8.8 ± 0.0001 Å
• c: 33.2868 ± 0.0004 Å
• α: 90°
• β: 90.31 ± 0.001°
• γ: 90°
• Cell volume: 2871.26 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• 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