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Information card for entry 7044785
Preview
| Coordinates | 7044785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H19 N3 O8 |
|---|---|
| Calculated formula | C19 H19 N3 O8 |
| Title of publication | Amino Acid Based Gallium-68 Chelators Capable of Radiolabeling at Neutral pH |
| Authors of publication | Price, Thomas W.; Gallo, Juan; Kubicek, Vojtech; Bohmova, Zuzana; Prior, Timothy J.; Greenman, John; Hermann, Petr; Stasiuk, Graeme J. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 7.0852 ± 0.0006 Å |
| b | 32.29 ± 0.004 Å |
| c | 7.6786 ± 0.0006 Å |
| α | 90° |
| β | 94.108 ± 0.007° |
| γ | 90° |
| Cell volume | 1752.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.095 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0612 |
| Weighted residual factors for all reflections included in the refinement | 0.0676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.766 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7044785.cif |
| 203245 | 2017-11-17 | cif/ Adding structures of 7044784, 7044785, 7044786 via cif-deposit CGI script. |
7044785.cif |
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Users of the data should acknowledge the original authors of the
structural data.