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Information card for entry 7240751
Preview
| Coordinates | 7240751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H26 N4 |
|---|---|
| Calculated formula | C40 H26 N4 |
| SMILES | n1c2c3ccccc3c3c(c2n(c1c1ccc(cc1)C#N)c1ccc(N(c2ccccc2)c2ccccc2)cc1)cccc3 |
| Title of publication | Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours |
| Authors of publication | Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 39 |
| Pages of publication | 23187 - 23195 |
| a | 13.0705 ± 0.0004 Å |
| b | 9.7279 ± 0.0003 Å |
| c | 22.9944 ± 0.0007 Å |
| α | 90° |
| β | 101.425 ± 0.001° |
| γ | 90° |
| Cell volume | 2865.77 ± 0.15 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240751.cif |
| 258028 | 2020-10-06 | cif/ Updating files of 7240750, 7240751, 7240752 Original log message: Adding full bibliography for 7240750--7240752.cif. |
7240751.cif |
| 253231 | 2020-06-18 | cif/ Adding structures of 7240750, 7240751, 7240752 via cif-deposit CGI script. |
7240751.cif |
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Users of the data should acknowledge the original authors of the
structural data.