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Information card for entry 7250349
Preview
| Coordinates | 7250349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H9 N3 O2 |
|---|---|
| Calculated formula | C10 H9 N3 O2 |
| Title of publication | Photo-Fenton-Like (Trideutero)methylation Reaction of N/O Heterocycles with DMSO(-d6) Induced by EDA Complex Photocatalysis |
| Authors of publication | Qin, Changsheng; Li, Chenxu; Gao, Fang; Wang, Jingfang; Zhang, Zhihua; Zhang, Shuai; Li, Xinyue; Sun, Yi; Hu, Meiqian; Wang, Shoucai; Ji, Fanghua; Jiang, Guangbin |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 5.5401 ± 0.0001 Å |
| b | 21.2296 ± 0.0006 Å |
| c | 31.9506 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3757.84 ± 0.15 Å3 |
| Cell temperature | 100.02 ± 0.11 K |
| Ambient diffraction temperature | 100.02 ± 0.11 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299456 (current) | 2025-04-30 | cif/ Adding structures of 7250349 via cif-deposit CGI script. |
7250349.cif |
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