Information card for entry 7135290

Structure parameters

• Formula: C13 H19 B9 N2 O2
• Calculated formula: C13 H19 B9 N2 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: 9.3624 ± 0.0008 Å
• b: 15.562 ± 0.0014 Å
• c: 12.4785 ± 0.0012 Å
• α: 90°
• β: 106.649 ± 0.003°
• γ: 90°
• Cell volume: 1741.9 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.105
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No