Information card for entry 1552151

Structure parameters

• Formula: C48 H45 B N2
• Calculated formula: C48 H45 B N2
• SMILES: N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)(c1ccc(cc1)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1
• Title of publication: A “simple” donor‒acceptor AIEgen with multi-stimuli responsive behavior
• Authors of publication: Zhang, Jing; Li, Aisen; Zou, Hang; Peng, Junhui; Guo, Jiali; Wu, Wenjie; Zhang, Haoke; Zhang, Jun; Gu, Xinggui; Xu, Weiqing; Xu, Shuping; Liu, Sheng Hua; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong
• Journal of publication: Materials Horizons
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 135 - 142
• a: 7.5979 ± 0.0002 Å
• b: 32.4387 ± 0.0006 Å
• c: 16.8075 ± 0.0004 Å
• α: 90°
• β: 115.761 ± 0.002°
• γ: 90°
• Cell volume: 3730.78 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0755
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No