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Information card for entry 1574205
Preview
| Coordinates | 1574205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H32 N10 O12 Zn2 |
|---|---|
| Calculated formula | C32 H32 N10 O12 Zn2 |
| SMILES | [Zn]12(ON(=O)=O)(ON(=O)=O)[n]3c(cccc3)C[N]2(Cc2[n]1cccc2)Cc1cc(C[N]23[Zn](ON(=O)=O)(ON(=O)=O)([n]4c(cccc4)C2)[n]2c(C3)cccc2)ccc1 |
| 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 | 9.7701 ± 0.0002 Å |
| b | 13.8333 ± 0.0002 Å |
| c | 25.5578 ± 0.0004 Å |
| α | 90° |
| β | 95.956 ± 0.002° |
| γ | 90° |
| Cell volume | 3435.56 ± 0.1 Å3 |
| Cell temperature | 149.99 ± 0.11 K |
| Ambient diffraction temperature | 149.99 ± 0.11 K |
| Number of distinct elements | 5 |
| 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 | 0.0388 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0879 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
1574205.cif |
| 298565 | 2025-03-25 | cif/ Adding structures of 1574205, 1574206 via cif-deposit CGI script. |
1574205.cif |
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