Information card for entry 7236862

Structure parameters

• Formula: C33 H37 N3 O4
• Calculated formula: C33 H37 N3 O4
• Title of publication: 5-(2,6-Bis((E)-4-(dimethylamino)styryl)-1-ethylpyridin-4(1H)-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione: aggregation-induced emission, polymorphism, mechanochromism, and thermochromism
• Authors of publication: Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Huang, Xiaobo; Wang, Yuxiang; Cheng, Yixiang; Gao, Wenxia; Wu, Ge; Wu, Huayue
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 36
• Pages of publication: 9264
• a: 11.2361 ± 0.0014 Å
• b: 24.602 ± 0.003 Å
• c: 10.5445 ± 0.0014 Å
• α: 90°
• β: 98.262 ± 0.002°
• γ: 90°
• Cell volume: 2884.6 ± 0.6 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No