Information card for entry 7128645

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: 7.0142 ± 0.0003 Å
• b: 17.7383 ± 0.0006 Å
• c: 20.3579 ± 0.0006 Å
• α: 90°
• β: 91.096 ± 0.003°
• γ: 90°
• Cell volume: 2532.47 ± 0.16 ų
• Cell temperature: 299.99 ± 0.13 K
• Ambient diffraction temperature: 299.99 ± 0.13 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: 0.1004
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No