Information card for entry 1546919

Structure parameters

• Formula: C18 H15 N O2
• Calculated formula: C18 H15 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: 6.1284 ± 0.0012 Å
• b: 10.938 ± 0.002 Å
• c: 11.925 ± 0.002 Å
• α: 114.2 ± 0.03°
• β: 90.94 ± 0.03°
• γ: 91.43 ± 0.03°
• Cell volume: 728.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2441
• Weighted residual factors for all reflections included in the refinement: 0.2591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No