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Information card for entry 7112497
Preview
Coordinates | 7112497.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H34 Cu2 N2 O10 |
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Calculated formula | C24 H34 Cu2 N2 O10 |
SMILES | [Cu]123([O]([Cu]45([OH]C[C@H]([NH]5Cc5c([O]14)cccc5)C)OC(=O)C)c1c(C[NH]3[C@@H](C[OH]2)C)cccc1)OC(=O)C.O.O.O.O |
Title of publication | Design, synthesis and crystal structure determination of dinuclear copper-based potential chemotherapeutic drug entities; in vitro DNA binding, cleavage studies and an evaluation of genotoxicity by micronucleus test and comet assay |
Authors of publication | Arjmand, Farukh; Muddassir, Mohd; Zaidi, Yusra; Ray, Debashis |
Journal of publication | MedChemComm |
Year of publication | 2013 |
Journal volume | 4 |
Journal issue | 2 |
Pages of publication | 394 |
a | 12.104 ± 0.005 Å |
b | 16.437 ± 0.005 Å |
c | 27.634 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 5498 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0975 |
Residual factor for significantly intense reflections | 0.0628 |
Weighted residual factors for significantly intense reflections | 0.1443 |
Weighted residual factors for all reflections included in the refinement | 0.1886 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71069 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/7112497.html
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