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Information card for entry 7158966
Preview
Coordinates | 7158966.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 N2 O4 S2 |
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Calculated formula | C18 H18 N2 O4 S2 |
Title of publication | Catalytic divergent synthesis of imidazoles <i>via</i> reaction condition-dependent [3 + 2] cyclization of TosMIC. |
Authors of publication | Zhao, Cheng; Gu, Man-Zhen; Chen, Yi-Yuan; Hu, Xiao-Wei; Xu, Yi-Bing; Lin, Xiao-Min; Liu, Xin-Ni; Chen, Long; Chen, Guo-Shu; Liu, Yun-Lin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
a | 5.9384 ± 0.0002 Å |
b | 19.6239 ± 0.0008 Å |
c | 15.697 ± 0.0007 Å |
α | 90° |
β | 99.037 ± 0.004° |
γ | 90° |
Cell volume | 1806.54 ± 0.13 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 180 ± 0.1 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 | 0.0971 |
Residual factor for significantly intense reflections | 0.0806 |
Weighted residual factors for significantly intense reflections | 0.2106 |
Weighted residual factors for all reflections included in the refinement | 0.2253 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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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The link is: https://www.crystallography.net/7158966.html
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Users of the data should acknowledge the original authors of the
structural data.