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Information card for entry 4106010
Preview
Coordinates | 4106010.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H21 Cl2 Cu N3 O S |
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Calculated formula | C19 H21 Cl2 Cu N3 O S |
SMILES | [Cu]12([S](c3c(cccc3)c3[n]1n(Cc1[n]2cc(c(OC)c1C)C)cc3)C)(Cl)Cl |
Title of publication | Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells |
Authors of publication | Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Journal issue | 16 |
Pages of publication | 6235 - 6242 |
a | 8.082 ± 0.001 Å |
b | 12.312 ± 0.001 Å |
c | 21.242 ± 0.002 Å |
α | 90° |
β | 98.477 ± 0.003° |
γ | 90° |
Cell volume | 2090.6 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0755 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0615 |
Weighted residual factors for all reflections included in the refinement | 0.0665 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4106010.html
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Users of the data should acknowledge the original authors of the
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