Information card for entry 7154439

Structure parameters

• Formula: C31 H24 B N O
• Calculated formula: C31 H24 B N O
• SMILES: O1C(=C(c2[n](cccc2)[B]1(c1ccccc1)c1ccccc1)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: 9.2542 ± 0.0008 Å
• b: 9.8875 ± 0.0009 Å
• c: 14.4448 ± 0.0013 Å
• α: 109.354 ± 0.002°
• β: 102.882 ± 0.001°
• γ: 95.386 ± 0.001°
• Cell volume: 1195.24 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.697
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No