Information card for entry 7239917

Structure parameters

• Formula: C50 H28 N6
• Calculated formula: C50 H28 N6
• Title of publication: Diversified AIE and mechanochromic luminescence based on carbazole derivatives decorated dicyanovinyl groups: Effects of Substitution Site and Molecular Packing
• Authors of publication: Wang, Kai; Xiao, Hui; Qian, Li; Han, Mingxi; Wu, Xianfeng; Guo, Zhiyong; Zhan, Hongbing
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.7183 ± 0.0012 Å
• b: 13.8384 ± 0.0016 Å
• c: 14.7191 ± 0.0017 Å
• α: 95.994 ± 0.002°
• β: 98.595 ± 0.002°
• γ: 99.932 ± 0.002°
• Cell volume: 2107.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1473
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2545
• Weighted residual factors for all reflections included in the refinement: 0.2818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No