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Information card for entry 1557283
Preview
| Coordinates | 1557283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H30 N4 O3 |
|---|---|
| Calculated formula | C25 H30 N4 O3 |
| SMILES | N#C/C(=C\c1ccc(N2CCN(CC2)C)cc1)c1ccc(cc1)c1ccncc1.O.O.O |
| Title of publication | In vivo monitoring of tissue regeneration using a ratiometric lysosomal AIE probe |
| Authors of publication | Shi, Xiujuan; Yan, Neng; Niu, Guangle; Sung, Simon H. P.; Liu, Zhiyang; Liu, Junkai; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wang, Wen-Xiong; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 3152 - 3163 |
| a | 6.6601 ± 0.0004 Å |
| b | 7.4588 ± 0.0004 Å |
| c | 23.5097 ± 0.0015 Å |
| α | 94.931 ± 0.005° |
| β | 90.774 ± 0.005° |
| γ | 105.499 ± 0.005° |
| Cell volume | 1120.43 ± 0.12 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0532 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557283.cif |
| 257414 | 2020-10-06 | cif/ Updating files of 1557283 Original log message: Adding full bibliography for 1557283.cif. |
1557283.cif |
| 250258 | 2020-04-05 | cif/ Updating files of 1557283 Original log message: Adding full bibliography for 1557283.cif. |
1557283.cif |
| 248016 | 2020-02-11 | cif/ Adding structures of 1557283 via cif-deposit CGI script. |
1557283.cif |
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Users of the data should acknowledge the original authors of the
structural data.