Information card for entry 7236819

Structure parameters

• Formula: C47 H32 B F2 N O2
• Calculated formula: C47 H32 B F2 N O2
• Title of publication: Multi-state emission properties and the inherent mechanism of D‒A‒D type asymmetric organic boron complexes
• Authors of publication: Qi, Yunpeng; Wang, Yongtao; Ge, Guixian; Liu, Zhiyong; Yu, Yongjiang; Xue, Mei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 42
• Pages of publication: 11030
• a: 8.3426 ± 0.0009 Å
• b: 11.4056 ± 0.0011 Å
• c: 19.6777 ± 0.0018 Å
• α: 81.77 ± 0.003°
• β: 84.375 ± 0.003°
• γ: 87.955 ± 0.004°
• Cell volume: 1843.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No