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Information card for entry 7246934
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| Coordinates | 7246934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286087 (current) | 2023-09-05 | cif/ Updating files of 7246933, 7246934 Original log message: Adding full bibliography for 7246933--7246934.cif. |
7246934.cif |
| 284598 | 2023-06-29 | cif/ Adding structures of 7246933, 7246934 via cif-deposit CGI script. |
7246934.cif |
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Users of the data should acknowledge the original authors of the
structural data.