Information card for entry 7128650

Structure parameters

• Formula: C38 H39 B N2
• Calculated formula: C38 H39 B N2
• SMILES: N#CC(=C1c2ccccc2B(c2c(cc(C(C)(C)C)cc2C(C)(C)C)C(C)(C)C)c2cc3ccccc3cc12)C#N
• Title of publication: Crystallization-induced emission enhancement of highly electron-deficient dicyanomethylene-bridged triarylboranes.
• Authors of publication: Liao, Guanming; Zhang, Jia; Zheng, Xiaoyan; Jia, Xiaodi; Xu, Jialiang; Zhao, Fenggui; Wang, Nan; Liu, Kanglei; Chen, Pangkuan; Yin, Xiaodong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 64
• Pages of publication: 7926 - 7929
• a: 8.8732 ± 0.0004 Å
• b: 11.496 ± 0.0006 Å
• c: 16.2386 ± 0.0009 Å
• α: 71.283 ± 0.002°
• β: 77.713 ± 0.002°
• γ: 89.499 ± 0.002°
• Cell volume: 1529.73 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No