Information card for entry 7229153

Structure parameters

• Formula: C24 H24 B F4 N4 O2 S
• Calculated formula: C27 H23 B F4 N4 O2 S
• SMILES: S(=O)(=O)(NCc1n(n[n+](c1)Cc1ccccc1)C)c1c2c3c4c(ccc3cc1)cccc4cc2.[B](F)(F)(F)[F-]
• Title of publication: Fluorescent triazolium for sensing fluoride anions in semi-aqueous solution
• Authors of publication: Wang, Bin-Yong; Chen, Zhi-Qiang; Huang, Hongwei; Cao, Qian-Yong
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 69
• Pages of publication: 43950
• a: 10.495 ± 0.003 Å
• b: 10.849 ± 0.003 Å
• c: 12.002 ± 0.004 Å
• α: 93.109 ± 0.007°
• β: 103.855 ± 0.007°
• γ: 104.76 ± 0.008°
• Cell volume: 1273.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2497
• Weighted residual factors for all reflections included in the refinement: 0.2924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No