Information card for entry 7116396

Structure parameters

• Formula: C27 H24 B F2 N3
• Calculated formula: C27 H24 B F2 N3
• SMILES: [B]1(F)(F)[n]2ccccc2C(=C(N1c1ccc(N(C)C)cc1)c1ccccc1)c1ccccc1
• Title of publication: Aggregation-induced emission (AIE) of pyridyl-enamido-based organoboron luminophores
• Authors of publication: Xiaoqing Wang; Yanping Wu; Qingsong Liu; Zhenyu Li; Hui Yan; Chonglei Ji; Jicheng Duan; Zhipeng Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 784
• a: 12.2723 ± 0.0009 Å
• b: 14.705 ± 0.0016 Å
• c: 14.7883 ± 0.0016 Å
• α: 69.664 ± 0.01°
• β: 67.961 ± 0.008°
• γ: 82.665 ± 0.007°
• Cell volume: 2319.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1462
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No