Information card for entry 7236860

Structure parameters

• Formula: C72 H86 N6 O8
• Calculated formula: C72 H86 N6 O8
• 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: 14.7343 ± 0.0014 Å
• b: 14.7727 ± 0.0015 Å
• c: 15.7694 ± 0.0015 Å
• α: 92.545 ± 0.003°
• β: 93.186 ± 0.002°
• γ: 110.15 ± 0.002°
• Cell volume: 3210 ± 0.5 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: 0.1284
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No