Information card for entry 7159440

Structure parameters

• Formula: C25 H21 B N2 O3
• Calculated formula: C25 H21 B N2 O3
• SMILES: OB(O)c1ccc(NC(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
• Title of publication: A triphenylamine-based fluorescent probe with phenylboronic acid for highly selective detection of Hg²⁺ and CH₃Hg⁺ in groundwater.
• Authors of publication: Li, Lin; Ouyang, Hao; Long, Zhiqing; Zhang, Qinpeng; Jiang, Yunqi; Cai, Meng; Xiong, Shenglun; Peng, Sangshan; Xu, Guangyu; He, Qing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 27
• Pages of publication: 5560 - 5566
• a: 16.5618 ± 0.0013 Å
• b: 9.8374 ± 0.0005 Å
• c: 13.4401 ± 0.001 Å
• α: 90°
• β: 109.596 ± 0.009°
• γ: 90°
• Cell volume: 2062.9 ± 0.3 ų
• Cell temperature: 293 ± 10 K
• Ambient diffraction temperature: 293 ± 10 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: 0.0817
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No