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Information card for entry 7153347
Preview
Coordinates | 7153347.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H22 Br N O5 |
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Calculated formula | C13 H22 Br N O5 |
SMILES | C(C(=O)OCC)(C(=O)OCC)(CCCCBr)NC(=O)C |
Title of publication | Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc. |
Authors of publication | Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2010 |
Journal volume | 8 |
Journal issue | 12 |
Pages of publication | 2829 - 2839 |
a | 17.996 ± 0.003 Å |
b | 10.0702 ± 0.0011 Å |
c | 9.3258 ± 0.0015 Å |
α | 90° |
β | 95.477 ± 0.013° |
γ | 90° |
Cell volume | 1682.3 ± 0.4 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0901 |
Residual factor for significantly intense reflections | 0.0744 |
Weighted residual factors for significantly intense reflections | 0.205 |
Weighted residual factors for all reflections included in the refinement | 0.2413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7153347.html
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