Information card for entry 7234130

Structure parameters

• Formula: C23 H20 B F2 N3 S
• Calculated formula: C23 H20 B F2 N3 S
• SMILES: s1c2ccccc2[n]2[B](F)(F)N(C(=Cc12)c1ccccc1)c1ccc(N(C)C)cc1
• Title of publication: Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission
• Authors of publication: Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 2953 - 2959
• a: 15.8955 ± 0.0003 Å
• b: 9.83109 ± 0.00015 Å
• c: 26.4038 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4126.12 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No