Information card for entry 7135146

Structure parameters

• Formula: C38 H26 B N
• Calculated formula: C38 H26 B N
• 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: 9.2605 ± 0.0002 Å
• b: 31.4635 ± 0.0007 Å
• c: 10.1892 ± 0.0002 Å
• α: 90°
• β: 116.391 ± 0.0009°
• γ: 90°
• Cell volume: 2659.39 ± 0.1 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: 0.0464
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No