Information card for entry 7246934

Structure parameters

• Common name: 3,5-Dicarbomethoxyaniline;3-benzenedicarboxylicacid,5-amino-dimethylester;5-Amino-1,3-isophthalic
• Chemical name: Dimethyl 5-aminoisophthalate
• Formula: C10 H11 N O4
• Calculated formula: C10 H11 N O4
• SMILES: O(C)C(=O)c1cc(N)cc(C(=O)OC)c1
• Title of publication: Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism
• Authors of publication: Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 28
• Pages of publication: 4064 - 4075
• a: 7.1188 ± 0.0014 Å
• b: 18.663 ± 0.004 Å
• c: 7.959 ± 0.0016 Å
• α: 90°
• β: 106.09 ± 0.03°
• γ: 90°
• Cell volume: 1016 ± 0.4 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: 0.0752
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No