Information card for entry 7236191

Structure parameters

• Chemical name: B3B
• Formula: C16 H12 B F2 N O3
• Calculated formula: C16 H12 B F2 N O3
• Title of publication: Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism
• Authors of publication: Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 49
• Pages of publication: 43755
• a: 7.1557 ± 0.0014 Å
• b: 8.6916 ± 0.0017 Å
• c: 22.455 ± 0.005 Å
• α: 90°
• β: 92.46 ± 0.03°
• γ: 90°
• Cell volume: 1395.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No