Information card for entry 1573545

Structure parameters

• Formula: C26 H21 B N4 O
• Calculated formula: C26 H21 B N4 O
• SMILES: [B]12(N(N=C(c3[n]1cccc3)c1ccccc1)C(=O)c1ccccc1N2C)c1ccccc1
• Title of publication: Ligand protonation leads to highly fluorescent boronium cations.
• Authors of publication: Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 2258 - 2264
• a: 9.804 ± 0.005 Å
• b: 16.35 ± 0.011 Å
• c: 13.564 ± 0.007 Å
• α: 90°
• β: 108.989 ± 0.015°
• γ: 90°
• Cell volume: 2056 ± 2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No