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Information card for entry 1558719
Preview
Coordinates | 1558719.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H16 F6 N2 O3 |
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Calculated formula | C19 H16 F6 N2 O3 |
SMILES | FC(F)(F)c1cc(C(=O)N(C(C)C)c2ccc(cc2)C(=O)NO)cc(c1)C(F)(F)F |
Title of publication | Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting. |
Authors of publication | Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2020 |
a | 9.449 ± 0.001 Å |
b | 19.372 ± 0.0018 Å |
c | 21.3178 ± 0.0019 Å |
α | 90° |
β | 97.644 ± 0.007° |
γ | 90° |
Cell volume | 3867.5 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.2092 |
Residual factor for significantly intense reflections | 0.1136 |
Weighted residual factors for significantly intense reflections | 0.267 |
Weighted residual factors for all reflections included in the refinement | 0.3501 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1558719.html
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Users of the data should acknowledge the original authors of the
structural data.