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Information card for entry 7155000
Preview
| Coordinates | 7155000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H23 N O4 S |
|---|---|
| Calculated formula | C25 H23 N O4 S |
| SMILES | S(=O)(=O)(Nc1c(c(oc1c1ccccc1)C)c1ccc(OC)cc1)c1ccc(cc1)C |
| Title of publication | Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols. |
| Authors of publication | Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 16 |
| Pages of publication | 3878 - 3882 |
| a | 14.818 ± 0.003 Å |
| b | 10.636 ± 0.002 Å |
| c | 15.416 ± 0.003 Å |
| α | 90° |
| β | 113.84 ± 0.03° |
| γ | 90° |
| Cell volume | 2222.3 ± 0.9 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1252 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.175 |
| Weighted residual factors for all reflections included in the refinement | 0.2036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155000.cif |
| 182785 | 2016-05-06 | cif/ Updating files of 7154999, 7155000, 7155001 Original log message: Adding full bibliography for 7154999--7155001.cif. |
7155000.cif |
| 177120 | 2016-03-02 | cif/ Adding structures of 7154999, 7155000, 7155001 via cif-deposit CGI script. |
7155000.cif |
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Users of the data should acknowledge the original authors of the
structural data.