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Information card for entry 7233769
Preview
| Coordinates | 7233769.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H30 N4 O2 |
|---|---|
| Calculated formula | C33 H30 N4 O2 |
| SMILES | c1(ccc(cc1)C(=O)N(c1ccccc1)c1ccccc1)N(c1ccc(cc1)N)c1ccc(cc1)N.C(=O)(C)OCC |
| Title of publication | A novel ultrasound-sensitive mechanofluorochromic AIE-compound with remarkable blue-shifting and enhanced emission |
| Authors of publication | Huawei Sun; Yi Zhang; Wei Yan; Wenxin Chen; Qi Lan; Siwei Liu; Long Jiang; Zhenguo Chi; Xudong Chen; Jiarui Xu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 5812 - 5817 |
| a | 13.0465 ± 0.0003 Å |
| b | 14.1234 ± 0.0003 Å |
| c | 15.2036 ± 0.0003 Å |
| α | 97.5266 ± 0.0016° |
| β | 92.1596 ± 0.0016° |
| γ | 105.396 ± 0.0017° |
| Cell volume | 2669.92 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233769.cif |
| 292638 | 2024-06-28 | cif/7: Fixing Z values and formulae |
7233769.cif |
| 218166 | 2019-09-11 | cif/ Adding structures of 7233769 via cif-deposit CGI script. |
7233769.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.