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Information card for entry 7248553
Preview
| Coordinates | 7248553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Dimethyl aminoterephthalate, 1,2,4,5-tetracyanobenzene |
|---|---|
| Formula | C20 H13 N5 O4 |
| Calculated formula | C20 H13 N5 O4 |
| Title of publication | Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering |
| Authors of publication | Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 22 |
| Pages of publication | 2976 - 2988 |
| a | 6.5102 ± 0.0002 Å |
| b | 7.1433 ± 0.0002 Å |
| c | 9.9181 ± 0.0002 Å |
| α | 95.079 ± 0.002° |
| β | 90.432 ± 0.002° |
| γ | 97.825 ± 0.002° |
| Cell volume | 455.06 ± 0.02 Å3 |
| Cell temperature | 119.99 ± 0.1 K |
| Ambient diffraction temperature | 119.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292942 (current) | 2024-07-05 | cif/ Updating files of 7248551, 7248552, 7248553, 7248554, 7248555 Original log message: Adding full bibliography for 7248551--7248555.cif. |
7248553.cif |
| 291409 | 2024-04-30 | cif/ Adding structures of 7248551, 7248552, 7248553, 7248554, 7248555 via cif-deposit CGI script. |
7248553.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.