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Information card for entry 7117413
Preview
| Coordinates | 7117413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H21 N O |
|---|---|
| Calculated formula | C26 H21 N O |
| SMILES | O[C@H](c1ccccc1)[C@@H](/N=C/c1c2c3c(cc1)ccc1c3c(cc2)ccc1)C.O[C@@H](c1ccccc1)[C@H](/N=C/c1c2c3c(cc1)ccc1c3c(cc2)ccc1)C |
| Title of publication | Lysine triggered ratiometric conversion of dynamic to static excimer of a pyrene derivative: aggregation-induced emission, nanomolar detection and human breast cancer cell (MCF7) imaging |
| Authors of publication | Ghosh, Abhijit; Sengupta, Archya; Chattopadhyay, Ansuman; Das, Debasis |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 57 |
| Pages of publication | 11455 - 11458 |
| a | 28.0546 ± 0.0017 Å |
| b | 9.681 ± 0.0005 Å |
| c | 15.0716 ± 0.0008 Å |
| α | 90° |
| β | 109.781 ± 0.006° |
| γ | 90° |
| Cell volume | 3851.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1117 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| 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. |
7117413.cif |
| 210997 | 2018-09-15 | cif/7/11/74/ Updating bibliography in entries 7117413, 7117431. Marking entry 7117431 as a duplicate of entry 7117413. |
7117413.cif |
| 140001 | 2015-07-04 | cif/ Adding structures of 7117413 via cif-deposit CGI script. |
7117413.cif |
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Users of the data should acknowledge the original authors of the
structural data.