Information card for entry 7238986

Structure parameters

• Formula: C30 H28 O4
• Calculated formula: C30 H28 O4
• Title of publication: AIE (AIEE) and mechanofluorochromic performances of TPE-methoxylates: effects of single molecular conformations
• Authors of publication: Qi, Qingkai; Liu, Yifei; Fang, Xiaofeng; Zhang, Yumo; Chen, Peng; Wang, Yi; Yang, Bing; Xu, Bin; Tian, Wenjing; Zhang, Sean Xiao-An
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 21
• Pages of publication: 7996
• a: 19.567 ± 0.012 Å
• b: 5.624 ± 0.004 Å
• c: 13.776 ± 0.012 Å
• α: 90°
• β: 125.66 ± 0.03°
• γ: 90°
• Cell volume: 1231.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No