Information card for entry 7236685

Structure parameters

• Formula: C88 H98 N4 O3
• Calculated formula: C88 H74 N4 O3
• Title of publication: Polyyne bridged AIE luminogens with red emission: design, synthesis, properties and applications
• Authors of publication: Zhao, Zheng; Su, Huifang; Zhang, Pengfei; Cai, Yuanjing; Kwok, Ryan T. K.; Chen, Yuncong; He, Zikai; Gu, Xinggui; He, Xuewen; Sung, Herman H. Y.; Willimas, Ian D.; Lam, Jacky W. Y.; Zhang, Zhenfeng; Tang, Ben Zhong
• Journal of publication: Journal of Materials Chemistry B
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 1650
• a: 34.0369 ± 0.0015 Å
• b: 9.7317 ± 0.0004 Å
• c: 22.916 ± 0.0008 Å
• α: 90°
• β: 90.574 ± 0.003°
• γ: 90°
• Cell volume: 7590.2 ± 0.5 ų
• Cell temperature: 99.95 ± 0.18 K
• Ambient diffraction temperature: 99.95 ± 0.18 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No