Information card for entry 7128644

Structure parameters

• Formula: C29 H12 B F9 N2
• Calculated formula: C29 H12 B F9 N2
• 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: 6.8971 ± 0.0003 Å
• b: 17.6628 ± 0.0007 Å
• c: 20.2921 ± 0.0008 Å
• α: 90°
• β: 91.795 ± 0.002°
• γ: 90°
• Cell volume: 2470.81 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No