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Information card for entry 7059228
Preview
Coordinates | 7059228.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H21 N O4 S |
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Calculated formula | C23 H21 N O4 S |
Title of publication | On the in silico and in vitro anticancer activity of sulfonamide chalcones: potential JNKK3 inhibitors |
Authors of publication | Custodio, Jean M. F.; Moura, Andrea F.; de Moraes, Manoel O.; Perez, Caridad N.; Napolitano, Hamilton B. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 8 |
Pages of publication | 3294 - 3309 |
a | 8.8384 ± 0.0005 Å |
b | 26.6514 ± 0.0016 Å |
c | 8.7741 ± 0.0004 Å |
α | 90° |
β | 90.963 ± 0.005° |
γ | 90° |
Cell volume | 2066.5 ± 0.19 Å3 |
Cell temperature | 293.7 ± 0.7 K |
Ambient diffraction temperature | 293.7 ± 0.7 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 | 0.0724 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.123 |
Weighted residual factors for all reflections included in the refinement | 0.1307 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
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/7059228.html
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structural data.