Information card for entry 7135291

Structure parameters

• Formula: C14 H20 B9 N O2
• Calculated formula: C14 H20 B9 N O2
• Title of publication: Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens
• Authors of publication: Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 6.5542 ± 0.001 Å
• b: 10.0432 ± 0.0013 Å
• c: 14.4842 ± 0.0019 Å
• α: 79.901 ± 0.004°
• β: 79.8 ± 0.005°
• γ: 74.684 ± 0.005°
• Cell volume: 896.7 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No