Information card for entry 7246933

Structure parameters

• Chemical name: Dimethyl 5-aminoisophthalate
• Formula: C10 H11 N O4
• Calculated formula: C10 H11 N O4
• SMILES: O=C(OC)c1cc(N)cc(c1)C(=O)OC
• 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: 9.5646 ± 0.0011 Å
• b: 3.7993 ± 0.0005 Å
• c: 13.5636 ± 0.0017 Å
• α: 90°
• β: 106.084 ± 0.013°
• γ: 90°
• Cell volume: 473.59 ± 0.11 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No