Information card for entry 7135145

Structure parameters

• Formula: C48 H38 B2
• Calculated formula: C48 H38 B2
• 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: 27.7844 ± 0.0013 Å
• b: 3.9198 ± 0.0002 Å
• c: 32.0442 ± 0.0015 Å
• α: 90°
• β: 103.451 ± 0.002°
• γ: 90°
• Cell volume: 3394.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No