Information card for entry 7135148

Structure parameters

• Formula: C24 H21 B
• Calculated formula: C24 H21 B
• 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: 7.4166 ± 0.0003 Å
• b: 12.7823 ± 0.0004 Å
• c: 19.1202 ± 0.0006 Å
• α: 79.8121 ± 0.0016°
• β: 89.9142 ± 0.0016°
• γ: 85.4566 ± 0.0017°
• Cell volume: 1778.29 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No