Information card for entry 7234132

Structure parameters

• Formula: C25 H24 B F2 N3 S
• Calculated formula: C25 H24 B F2 N3 S
• SMILES: s1c2ccccc2[n]2[B](F)(F)N(C(=Cc12)c1ccc(cc1)N(C)C)c1c(cccc1C)C
• 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: 13.0949 ± 0.0009 Å
• b: 12.1529 ± 0.0006 Å
• c: 14.5043 ± 0.0009 Å
• α: 90°
• β: 104.475 ± 0.007°
• γ: 90°
• Cell volume: 2235 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No