Information card for entry 7135143

Structure parameters

• Formula: C26 H16 B F
• Calculated formula: C26 H16 B F
• Title of publication: Facile π-extension of boron-doped polycyclic aromatic hydrocarbons by frustrated Lewis pair alkynylation.
• Authors of publication: Chang, Ke-Wei; Lai, Ting-Yi; Chin, To-Jen; Anitha, Mandala; Liu, Yi-Hung; Ishiwari, Fumitaka; Saeki, Akinori; Farrell, Jeffrey M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• a: 3.8479 ± 0.0003 Å
• b: 25.12 ± 0.0015 Å
• c: 18.2066 ± 0.0012 Å
• α: 90°
• β: 92.161 ± 0.004°
• γ: 90°
• Cell volume: 1758.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No