Information card for entry 7236818

Structure parameters

• Formula: C96 H67 B2 F4 N2 O6
• Calculated formula: C93.93 H63.93 B2 F4 N2 O4
• 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: 14.917 ± 0.002 Å
• b: 24.663 ± 0.003 Å
• c: 20.762 ± 0.003 Å
• α: 90°
• β: 93.468 ± 0.005°
• γ: 90°
• Cell volume: 7624.3 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2519
• Residual factor for significantly intense reflections: 0.1566
• Weighted residual factors for significantly intense reflections: 0.4443
• Weighted residual factors for all reflections included in the refinement: 0.4941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.481
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No