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Information card for entry 7158734
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Coordinates | 7158734.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H14 N4 O2 S |
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Calculated formula | C17 H14 N4 O2 S |
Title of publication | Azirine-triazole hybrids: selective synthesis of 5-(2H-azirin-2-yl)-, 5-(1H-pyrrol-2-yl)-1H-1,2,3-triazoles and 2-(5-(2H-azirin-2-yl)-1H-1,2,3-triazol-1-yl)pyridines |
Authors of publication | Krivolapova, Yulia V.; Tomashenko, Olesya A.; Funt, Liya D.; Spiridonova, Dar’ya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2022 |
a | 7.6565 ± 0.0004 Å |
b | 44.4687 ± 0.0014 Å |
c | 9.847 ± 0.0004 Å |
α | 90° |
β | 110.866 ± 0.005° |
γ | 90° |
Cell volume | 3132.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1257 |
Residual factor for significantly intense reflections | 0.1175 |
Weighted residual factors for significantly intense reflections | 0.2181 |
Weighted residual factors for all reflections included in the refinement | 0.2212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.299 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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