Information card for entry 7234131

Structure parameters

• Formula: C23 H20 B F2 N3 O0 S
• Calculated formula: C23 H20 B F2 N3 S
• SMILES: [B]1(F)(F)[n]2c3ccccc3sc2C=C(N1c1ccccc1)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: 12.1191 ± 0.0013 Å
• b: 14.1236 ± 0.0014 Å
• c: 11.9134 ± 0.0011 Å
• α: 90°
• β: 100.907 ± 0.002°
• γ: 90°
• Cell volume: 2002.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1039
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No