Information card for entry 1546920

Structure parameters

• Formula: C19 H14 F3 N O2
• Calculated formula: C19 H14 F3 N O2
• Title of publication: 2,5-bis(4-alkoxycarbonylphenyl)-1,4-diaryl-1,4-dihydropyrrolo[3,2-b]pyrrole (AAPP) AIEgens: tunable RIR and TICT characteristics and their multifunctional applications
• Authors of publication: Li, Kai; Liu, Yuanyuan; Li, Yuanyuan; Feng, Qi; Hou, Hongwei; Tang, Ben Zhong
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 6.1875 ± 0.0003 Å
• b: 12.1177 ± 0.0005 Å
• c: 12.249 ± 0.0005 Å
• α: 63.176 ± 0.004°
• β: 88.118 ± 0.004°
• γ: 81.174 ± 0.004°
• Cell volume: 809.19 ± 0.07 ų
• Cell temperature: 285 ± 0.1 K
• Ambient diffraction temperature: 285 ± 0.1 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: 0.0641
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No