Information card for entry 1551378

Structure parameters

• Formula: C20 H19 N3
• Calculated formula: C20 H19 N3
• SMILES: N1/C(c2c(C=1NC(C)(C)C)cccc2)=C(/C#N)c1ccccc1
• Title of publication: Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging
• Authors of publication: Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 7.32208 ± 0.00015 Å
• b: 18.4404 ± 0.0004 Å
• c: 23.9475 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3233.44 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No