Information card for entry 1573015

Structure parameters

• Formula: C27 H19 B
• Calculated formula: C27 H19 B
• Title of publication: Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.
• Authors of publication: Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 39
• Pages of publication: 16210 - 16215
• a: 15.6381 ± 0.0008 Å
• b: 14.3429 ± 0.0006 Å
• c: 8.1555 ± 0.0004 Å
• α: 90°
• β: 98.268 ± 0.002°
• γ: 90°
• Cell volume: 1810.23 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No