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Information card for entry 1501663
Preview
Coordinates | 1501663.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | 6 |
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Formula | C16 H14 N4 O S |
Calculated formula | C16 H14 N4 O S |
SMILES | S=C(NCc1ccccc1)N/N=C\1c2ccccc2NC1=O |
Title of publication | Synthesis and structure-activity evaluation of isatin-β-thiosemicarbazones with improved selective activity toward multidrug-resistant cells expressing P-glycoprotein. |
Authors of publication | Hall, Matthew D.; Brimacombe, Kyle R.; Varonka, Matthew S.; Pluchino, Kristen M.; Monda, Julie K.; Li, Jiayang; Walsh, Martin J.; Boxer, Matthew B.; Warren, Timothy H.; Fales, Henry M.; Gottesman, Michael M. |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2011 |
Journal volume | 54 |
Journal issue | 16 |
Pages of publication | 5878 - 5889 |
a | 16.7856 ± 0.0009 Å |
b | 5.4114 ± 0.0003 Å |
c | 16.1237 ± 0.0008 Å |
α | 90° |
β | 100.73 ± 0.001° |
γ | 90° |
Cell volume | 1438.97 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0403 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0818 |
Weighted residual factors for all reflections included in the refinement | 0.0854 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/1501663.html
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Users of the data should acknowledge the original authors of the
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