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Information card for entry 7132154
Preview
| Coordinates | 7132154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H23 N3 O5 S |
|---|---|
| Calculated formula | C29 H23 N3 O5 S |
| SMILES | S(=O)(=O)(C(Cc1n2c(nc1c1cc(N(=O)=O)ccc1)cccc2)C(=O)c1ccccc1)c1ccc(C)cc1 |
| Title of publication | Ketosulfonylmethylenation and Sulfonylethyleneation of Imidazoheterocycles with Dimethylformamide as Methylene Source |
| Authors of publication | Guo, Tao; Hu, Penghua; Liu, Yu; Zhang, Panke; Zhao, Yun-Hui; Zhu, Congjun |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 7.1153 ± 0.0004 Å |
| b | 12.1904 ± 0.0007 Å |
| c | 14.8931 ± 0.0008 Å |
| α | 79.211 ± 0.002° |
| β | 77.257 ± 0.002° |
| γ | 80.078 ± 0.002° |
| Cell volume | 1226.09 ± 0.12 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286536 (current) | 2023-09-27 | cif/ Adding structures of 7132154 via cif-deposit CGI script. |
7132154.cif |
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Users of the data should acknowledge the original authors of the
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