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Information card for entry 1552227
Preview
Coordinates | 1552227.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H62 Cl6 Cu3 N6 O8 S2 |
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Calculated formula | C54 H62 Cl6 Cu3 N6 O8 S2 |
SMILES | [Cu]123(Cl)[S](CC[N]2(Cc2[n]1cccc2)Cc1[n]3c(ccc1)COc1ccc2c(oc(=O)cc2)c1)CC.[Cu]123(Cl)[S](CC[N]2(Cc2[n]1cccc2)Cc1[n]3c(ccc1)COc1ccc2c(oc(=O)cc2)c1)CC.[Cu](Cl)(Cl)([Cl-])[Cl-].OC.OC |
Title of publication | Selective Catecholamine Detection in Living Cells by a Copper-based Oxidative Reactivity |
Authors of publication | Tong, Ka Yan; Zhao, Jia; Tse, Chun-Wai; Wan, Pui-Ki; Rong, Jianhui; Au-Yeung, Ho Yu |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 13.36 ± 0.03 Å |
b | 13.86 ± 0.03 Å |
c | 15.84 ± 0.03 Å |
α | 88.34 ± 0.03° |
β | 84.94 ± 0.03° |
γ | 87.51 ± 0.03° |
Cell volume | 2918 ± 11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.189 |
Residual factor for significantly intense reflections | 0.0944 |
Weighted residual factors for significantly intense reflections | 0.1395 |
Weighted residual factors for all reflections included in the refinement | 0.1664 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1552227.html
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