Information card for entry 1544249

Structure parameters

• Formula: C26 H18 N2 O4
• Calculated formula: C26 H18 N2 O4
• SMILES: c1c(C(=C(c2ccccc2)c2ccccc2)c2ccc(cc2)N(=O)=O)ccc(c1)N(=O)=O
• Title of publication: The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials
• Authors of publication: Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 1163
• a: 10.52308 ± 0.00018 Å
• b: 8.79827 ± 0.00018 Å
• c: 22.9441 ± 0.0004 Å
• α: 90°
• β: 95.4899 ± 0.0016°
• γ: 90°
• Cell volume: 2114.53 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0458
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No