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Information card for entry 1572495
Preview
Coordinates | 1572495.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H23 N5 S |
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Calculated formula | C19 H23 N5 S |
Title of publication | 2<i>H</i>-Thiazolo[4,5-<i>d</i>][1,2,3]triazole: synthesis, functionalization, and application in scaffold-hopping. |
Authors of publication | Miyazaki, Ryuya; Takada, Fumito; Kikuchi, Takunari; Oguro, Yuya; Kamata, Makoto; Yukawa, Takafumi; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 38 |
Pages of publication | 15835 - 15840 |
a | 6.124 ± 0.0002 Å |
b | 10.0991 ± 0.0003 Å |
c | 14.9338 ± 0.0006 Å |
α | 80.551 ± 0.003° |
β | 86.987 ± 0.003° |
γ | 77.131 ± 0.002° |
Cell volume | 888.07 ± 0.05 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.0947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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