Information card for entry 4514371

Structure parameters

• Formula: C36 H36 N2 O8
• Calculated formula: C36 H36 N2 O8
• SMILES: C(=O)(c1c(O)cc(cc1)C(=C\C=C(/c1cc(c(C(=O)O)cc1)O)c1ccccc1)/c1ccccc1)O.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.
• Authors of publication: Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 3801 - 3809
• a: 7.488 ± 0.004 Å
• b: 8.51 ± 0.004 Å
• c: 13.655 ± 0.007 Å
• α: 90.845 ± 0.005°
• β: 103.081 ± 0.005°
• γ: 100.918 ± 0.006°
• Cell volume: 830.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No