Information card for entry 7237517

Structure parameters

• Formula: C37 H32 B F4 N3
• Calculated formula: C37 H32 B F4 N3
• Title of publication: Smartly designed AIE triazoliums as unique targeting fluorescence tags for sulfonic biomacromolecule recognition via ‘electrostatic locking’
• Authors of publication: Kang, Qing; Xiao, Yin; Hu, Wenping; Wang, Yong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 46
• Pages of publication: 12529
• a: 20.354 ± 0.004 Å
• b: 11.829 ± 0.002 Å
• c: 13.889 ± 0.003 Å
• α: 90°
• β: 103.45 ± 0.03°
• γ: 90°
• Cell volume: 3252.3 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No