Information card for entry 7116397

Structure parameters

• Formula: C37 H29 B N2
• Calculated formula: C37 H29 B N2
• SMILES: [n]12c(C(=C(N(c3ccccc3)[B]2(c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)cccc1
• 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: 10.9565 ± 0.0008 Å
• b: 19.2414 ± 0.0016 Å
• c: 13.7066 ± 0.0011 Å
• α: 90°
• β: 95.002 ± 0.001°
• γ: 90°
• Cell volume: 2878.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.758
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No