Information card for entry 1554242

Structure parameters

• Formula: C23 H17 N3 O3
• Calculated formula: C23 H17 N3 O3
• SMILES: OC.n1c2c(nc(c1c1ccccc1)c1ccccc1)cc1C(=O)NC(=O)c1c2
• Title of publication: An o-phthalimide-based multistimuli-responsive aggregation-induced emission (AIE) system
• Authors of publication: He, Yanling; Li, Yuanyuan; Su, Huifang; Si, Yue; Liu, Yuanyuan; Peng, Qiuchen; He, Juan; Hou, Hongwei; Li, Kai
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 50
• a: 10.83 ± 0.008 Å
• b: 7.65 ± 0.006 Å
• c: 12.063 ± 0.009 Å
• α: 90°
• β: 103.07 ± 0.03°
• γ: 90°
• Cell volume: 973.5 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No