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Information card for entry 7122393
Preview
| Coordinates | 7122393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | NABT |
|---|---|
| Chemical name | NABT |
| Formula | C18 H13 N3 O S |
| Calculated formula | C18 H13 N3 O S |
| Title of publication | Monitoring ADP and ATP in vivo using a fluorescent Ga(iii)-probe complex. |
| Authors of publication | Zhang, Xinyu; Jiang, Yuqian; Xiao, Nao |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 91 |
| Pages of publication | 12812 - 12815 |
| a | 17.1396 ± 0.0008 Å |
| b | 4.0692 ± 0.0002 Å |
| c | 22.0699 ± 0.0015 Å |
| α | 90° |
| β | 108.746 ± 0.006° |
| γ | 90° |
| Cell volume | 1457.6 ± 0.15 Å3 |
| Cell temperature | 179.99 ± 0.11 K |
| Ambient diffraction temperature | 179.99 ± 0.11 K |
| Number of distinct elements | 5 |
| 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 | 0.0658 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122393.cif |
| 228467 | 2019-11-17 | cif/ Updating files of 7122393 Original log message: Adding full bibliography for 7122393.cif. |
7122393.cif |
| 211203 | 2018-09-28 | cif/ Adding structures of 7122393 via cif-deposit CGI script. |
7122393.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.