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Information card for entry 1552223
Preview
| Coordinates | 1552223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H18 N2 O2 |
|---|---|
| Calculated formula | C24 H18 N2 O2 |
| SMILES | O=C1NC(=O)C(=CN1C/C=C/c1c2c3c4c(cc2)cccc4ccc3cc1)C |
| Title of publication | Luminescent pyrenyl-GNA nucleosides: synthesis, photophysics and confocal microscopy studies in cancer HeLa cells. |
| Authors of publication | Skiba, Joanna; Kowalczyk, Aleksandra; Fik, Marta A.; Gapińska, Magdalena; Trzybiński, Damian; Woźniak, Krzysztof; Vrček, Valerije; Czerwieniec, Rafał; Kowalski, Konrad |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2019 |
| Journal volume | 18 |
| Journal issue | 10 |
| Pages of publication | 2449 - 2460 |
| a | 7.4331 ± 0.0002 Å |
| b | 8.9471 ± 0.0003 Å |
| c | 26.8786 ± 0.0009 Å |
| α | 90° |
| β | 94.896 ± 0.003° |
| γ | 90° |
| Cell volume | 1781.03 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0643 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1445 |
| Weighted residual factors for all reflections included in the refinement | 0.1567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| 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. |
1552223.cif |
| 225315 | 2019-11-08 | cif/ Updating files of 1552223 Original log message: Adding full bibliography for 1552223.cif. |
1552223.cif |
| 217521 | 2019-08-14 | cif/ Adding structures of 1552223 via cif-deposit CGI script. |
1552223.cif |
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Users of the data should acknowledge the original authors of the
structural data.