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Information card for entry 7118486
Preview
| Coordinates | 7118486.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H15 Cl N2 O |
|---|---|
| Calculated formula | C15 H15 Cl N2 O |
| SMILES | Clc1cc(c(O)cc1)/C=N/c1ccc(N(C)C)cc1 |
| Title of publication | Multiple-color aggregation-induced emission (AIE) molecules as chemodosimeters for pH sensing. |
| Authors of publication | Feng, Qi; Li, Yuanyuan; Wang, Lili; Li, Chen; Wang, Jinmin; Liu, Yuanyuan; Li, Kai; Hou, Hongwei |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 15 |
| Pages of publication | 3123 - 3126 |
| a | 6.0936 ± 0.0012 Å |
| b | 8.4244 ± 0.0017 Å |
| c | 26.374 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1353.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1296 |
| Residual factor for significantly intense reflections | 0.0888 |
| Weighted residual factors for significantly intense reflections | 0.1309 |
| Weighted residual factors for all reflections included in the refinement | 0.1505 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118486.cif |
| 177654 | 2016-03-05 | cif/ Updating files of 7118486, 7118487, 7118488 Original log message: Adding full bibliography for 7118486--7118488.cif. |
7118486.cif |
| 174554 | 2016-01-19 | cif/ Adding structures of 7118486, 7118487, 7118488 via cif-deposit CGI script. |
7118486.cif |
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Users of the data should acknowledge the original authors of the
structural data.