Information card for entry 1566351

Structure parameters

• Formula: C32 H23 B N2
• Calculated formula: C32 H23 B N2
• SMILES: c12C3B(c4c(c2cccc1)cccc4)Nc1c(C=3)cc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Aggregation caused quenching to aggregation induced emission transformation: a precise tuning based on BN-doped polycyclic aromatic hydrocarbons toward subcellular organelle specific imaging
• Authors of publication: Huang, Huanan; Liu, Lingxiu; Wang, Jianguo; Zhou, Ying; Hu, Huanan; Ye, Xinglin; Liu, Guochang; Xu, Zhixiong; Xu, Han; Yang, Wen; Wang, Yawei; Peng, You; Yang, Pinghua; Sun, Jianqi; Yan, Ping; Cao, Xiaohua; Tang, Ben Zhong
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 8.1281 ± 0.0004 Å
• b: 14.6359 ± 0.001 Å
• c: 22.9977 ± 0.0013 Å
• α: 90°
• β: 93.688 ± 0.005°
• γ: 90°
• Cell volume: 2730.2 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1053
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2568
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No