Information card for entry 7154438

Structure parameters

• Formula: C19 H14 B F2 N O
• Calculated formula: C19 H14 B F2 N O
• SMILES: F[B]1(F)[n]2ccccc2C(=C(O1)c1ccccc1)c1ccccc1
• Title of publication: High solid-state luminescence in propeller-shaped AIE-active pyridine-ketoiminate-boron complexes.
• Authors of publication: Wu, Yanping; Li, Zhenyu; Liu, Qingsong; Wang, Xiaoqing; Yan, Hui; Gong, Shuwen; Liu, Zhipeng; He, Weijiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5775 - 5782
• a: 10.2403 ± 0.0009 Å
• b: 12.1323 ± 0.0011 Å
• c: 12.4975 ± 0.0012 Å
• α: 90°
• β: 92.516 ± 0.001°
• γ: 90°
• Cell volume: 1551.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0739
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No