Information card for entry 1575908

Structure parameters

• Formula: C19 H23 B N O2
• Calculated formula: C19 H23 B N O2
• Title of publication: O-B ← N perturbed polycyclic aromatic hydrocarbons: a straightforward synthesis strategy, and their photophysical and optical waveguide properties.
• Authors of publication: Zhao, Jinying; Yang, Qihang; Chen, Weibin; Xu, Nuo; Zhang, Qing; Zhao, Wenhao; Luo, Geng-Geng; Cui, Qiuhong; Huang, Jianhua
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 20445 - 20456
• a: 18.654 ± 0.003 Å
• b: 5.8046 ± 0.0009 Å
• c: 31.238 ± 0.006 Å
• α: 90°
• β: 95.121 ± 0.018°
• γ: 90°
• Cell volume: 3368.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2477
• Residual factor for significantly intense reflections: 0.1212
• Weighted residual factors for significantly intense reflections: 0.2403
• Weighted residual factors for all reflections included in the refinement: 0.3022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No