Information card for entry 1570978

Structure parameters

• Formula: C31 H23 Br N2 O
• Calculated formula: C31 H23 Br N2 O
• Title of publication: Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption.
• Authors of publication: Zhong, Weiren; Zhang, Jianyu; Lin, Yuting; Li, Shouji; Yang, Yalan; Wang, Wen-Jin; Si, Chuanling; Kühn, Fritz E; Zhao, Zheng; Cai, Xu-Min; Tang, Ben Zhong
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 3920 - 3927
• a: 15.4196 ± 0.001 Å
• b: 7.0728 ± 0.0005 Å
• c: 44.912 ± 0.002 Å
• α: 90°
• β: 93.069 ± 0.005°
• γ: 90°
• Cell volume: 4891.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1187
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No