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Information card for entry 7060314
Preview
Coordinates | 7060314.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H21 N3 O5 S |
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Calculated formula | C19 H21 N3 O5 S |
Title of publication | Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance |
Authors of publication | Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 6 |
Pages of publication | 3034 - 3047 |
a | 13.4199 ± 0.0005 Å |
b | 21.9195 ± 0.001 Å |
c | 13.5946 ± 0.0006 Å |
α | 90° |
β | 101.16 ± 0.003° |
γ | 90° |
Cell volume | 3923.3 ± 0.3 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 | 0.0963 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1934 |
Weighted residual factors for all reflections included in the refinement | 0.21 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7060314.html
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