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Information card for entry 7240853
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Coordinates | 7240853.cif |
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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 H12 F N O2 |
Calculated formula | C19 H12 F N O2 |
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 | 12.4338 ± 0.0017 Å |
b | 7.7886 ± 0.0011 Å |
c | 15.693 ± 0.002 Å |
α | 90° |
β | 92.992 ± 0.005° |
γ | 90° |
Cell volume | 1517.7 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0639 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1416 |
Weighted residual factors for all reflections included in the refinement | 0.1542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.212 |
Diffraction radiation wavelength | 0.71073 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/7240853.html
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