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Information card for entry 4106013
Preview
Coordinates | 4106013.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H62 Cl4 Cu2 N6 O2 S2 |
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Calculated formula | C40 H62 Cl4 Cu2 N6 O2 S2 |
SMILES | [Cu]12(Cl)([n]3c(cc(C(C)C)n3[C@H](CSC)c3c(c(c(c[n]23)C)OC)C)C(C)C)[Cl][Cu]2([Cl]1)(Cl)[n]1c([C@H](CSC)n3c(cc(C(C)C)[n]23)C(C)C)c(c(c(c1)C)OC)C |
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 | 9.304 ± 0.006 Å |
b | 11.801 ± 0.008 Å |
c | 12.441 ± 0.009 Å |
α | 73.951 ± 0.009° |
β | 74.725 ± 0.009° |
γ | 68.733 ± 0.009° |
Cell volume | 1202.9 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.2196 |
Residual factor for significantly intense reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0948 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
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/4106013.html
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Users of the data should acknowledge the original authors of the
structural data.