Information card for entry 7057372

Structure parameters

• Chemical name: 2PPI-TPE
• Formula: C68 H44 N4
• Calculated formula: C68 H44 N4
• Title of publication: Novel phenanthroimidazole-based blue AIEgens: reversible mechanochromism, bipolar transporting properties, and electroluminescence
• Authors of publication: Wang, Zhong-Yi; Zhao, Jue-Wen; Li, Peng; Feng, Tong; Wang, Wen-Jian; Tao, Si-Lu; Tong, Qing-Xiao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 8924
• a: 9.53878 ± 0.00016 Å
• b: 16.807 ± 0.0003 Å
• c: 18.0235 ± 0.0003 Å
• α: 103.584 ± 0.0014°
• β: 104.834 ± 0.0014°
• γ: 91.8775 ± 0.0014°
• Cell volume: 2701.76 ± 0.08 ų
• Cell temperature: 300 ± 0.1 K
• Ambient diffraction temperature: 300 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No