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Information card for entry 1574206
Preview
| Coordinates | 1574206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H37 F6 N9 O11 Zn2 |
|---|---|
| Calculated formula | C38 H37 F6 N9 O11 Zn2 |
| SMILES | [Zn]12345[O]6[Zn]78([O]=C(O1)C(F)(F)F)(OC(=[O]2)C(F)(F)F)[n]1c(C[N]8(Cc2c6c(cc(c2)CC[NH3+])C[N]5(Cc2[n]4cccc2)Cc2[n]3cccc2)Cc2[n]7cccc2)cccc1.O=N(=O)[O-].O=N(=O)[O-] |
| Title of publication | Fluorescent molecular probe for in vivo and in vitro targeting and imaging of an intracellular bacterial infection |
| Authors of publication | Koirala, Shailendra; Gaspar, Miguel A.; Wijesundara, Yalini H.; Li, Dong-Hao; Gadhvi, Jashkaran G.; Ehrman, Ryanne N.; Cornelius, Samuel A.; Mariasoosai, Charles; Nguyen, Thien-Quang N.; Trashi, Orikeda; Trashi, Ikeda; Kumari, Sneha; Hagge, Laurel M.; Howlett, Thomas S.; Torabifard, Hedieh; Smith, Bradley D.; De Nisco, Nicole J.; Gassensmith, Jeremiah J. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 18 |
| Pages of publication | 7902 - 7911 |
| a | 10.165 ± 0.0003 Å |
| b | 10.5732 ± 0.0004 Å |
| c | 20.3723 ± 0.0008 Å |
| α | 100.082 ± 0.003° |
| β | 101.234 ± 0.003° |
| γ | 94.294 ± 0.003° |
| Cell volume | 2100.92 ± 0.14 Å3 |
| Cell temperature | 149.99 ± 0.13 K |
| Ambient diffraction temperature | 149.99 ± 0.13 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| 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 |
|---|---|---|---|
| 300654 (current) | 2025-07-06 | cif/ Updating files of 1574205, 1574206 Original log message: Adding full bibliography for 1574205--1574206.cif. |
1574206.cif |
| 298565 | 2025-03-25 | cif/ Adding structures of 1574205, 1574206 via cif-deposit CGI script. |
1574206.cif |
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