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Information card for entry 1558181
Preview
Coordinates | 1558181.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H83 Cl2 Cu N13 O9 Si |
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Calculated formula | C52 H83 Cl Cu N13 O9 Si |
SMILES | [Cu]12(Cl)[n]3c(C[N]2(Cc2nnn(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C)(C(=O)OCC[Si](C)(C)C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)c2)Cc2[n]1cccc2)cccc3 |
Title of publication | Switchable foldamer ion channels with antibacterial activity |
Authors of publication | Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon |
Journal of publication | Chemical Science |
Year of publication | 2020 |
a | 8.9253 ± 0.0005 Å |
b | 15.5724 ± 0.0009 Å |
c | 25.2322 ± 0.0014 Å |
α | 98.168 ± 0.005° |
β | 91.134 ± 0.005° |
γ | 103.075 ± 0.005° |
Cell volume | 3376.5 ± 0.3 Å3 |
Cell temperature | 149.99 ± 0.1 K |
Ambient diffraction temperature | 149.99 ± 0.1 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 | 0.0924 |
Residual factor for significantly intense reflections | 0.0716 |
Weighted residual factors for significantly intense reflections | 0.202 |
Weighted residual factors for all reflections included in the refinement | 0.2197 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1558181.html
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Users of the data should acknowledge the original authors of the
structural data.