Information card for entry 1544248

Structure parameters

• Common name: HOFTPE4N
• Formula: C26 H16 N4 O8
• Calculated formula: C26 H16 N4 O8
• SMILES: c1(ccc(cc1)C(=C(c1ccc(N(=O)=O)cc1)c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)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: 19.9155 ± 0.0002 Å
• b: 19.9155 ± 0.0002 Å
• c: 13.4286 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5326.15 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No