Information card for entry 1555499

Structure parameters

• Formula: C45 H51 B3 F6 N6
• Calculated formula: C45 H51 B3 F6 N6
• Title of publication: Triple Boron-Cored Chromophores Bearing Discotic 5,11,17-Triazatrinaphthylene-Based Ligands.
• Authors of publication: Qiu, Feng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Han, Sheng; Zhuang, Xiaodong; Feng, Xinliang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1398 - 1401
• a: 16.672 ± 0.004 Å
• b: 6.7638 ± 0.0015 Å
• c: 37.518 ± 0.008 Å
• α: 90°
• β: 99.692 ± 0.007°
• γ: 90°
• Cell volume: 4170.4 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1755
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2669
• Weighted residual factors for all reflections included in the refinement: 0.3101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No