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Information card for entry 7240849
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Coordinates | 7240849.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship. |
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Formula | C19 H13 N O2 |
Calculated formula | C19 H13 N O2 |
SMILES | O(C1=C/C(=N\c2ccccc2)c2c(C1=O)cccc2)CC#C |
Title of publication | Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications |
Authors of publication | Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N. |
Journal of publication | RSC Medicinal Chemistry |
Year of publication | 2020 |
a | 15.2439 ± 0.0015 Å |
b | 11.2793 ± 0.0006 Å |
c | 8.4391 ± 0.0007 Å |
α | 90° |
β | 90.062 ± 0.008° |
γ | 90° |
Cell volume | 1451 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1882 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.1872 |
Weighted residual factors for all reflections included in the refinement | 0.2532 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation probe | x-ray |
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/7240849.html
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