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Information card for entry 7157665
Preview
Coordinates | 7157665.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-methyl-[1,2,4]triazolo[4,3-a]quinoline |
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Formula | C11 H9 N3 |
Calculated formula | C11 H9 N3 |
Title of publication | Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity. |
Authors of publication | Aksenov, Nicolai A.; Aksenov, Alexander V.; Kirilov, Nikita K.; Arutiunov, Nikolai A.; Aksenov, Dmitrii A.; Maslivetc, Vladimir; Zhao, Zhenze; Du, Liqin; Rubin, Michael; Kornienko, Alexander |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 34 |
Pages of publication | 6651 - 6664 |
a | 9.1934 ± 0.0005 Å |
b | 10.6902 ± 0.0005 Å |
c | 18.2767 ± 0.0008 Å |
α | 90° |
β | 100.449 ± 0.005° |
γ | 90° |
Cell volume | 1766.43 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0462 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.1074 |
Weighted residual factors for all reflections included in the refinement | 0.1147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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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