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Information card for entry 7246162
Preview
| Coordinates | 7246162.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H11 N O2 S |
|---|---|
| Calculated formula | C9 H11 N O2 S |
| SMILES | S(c1ccc(OCC(=O)N)cc1)C |
| Title of publication | Synthesis of aryloxyacetamides from arylboronic acids and 2-bromoacetonitrile promoted by alkaline solutions of hydrogen peroxide |
| Authors of publication | Guo, Mengping; Li, Yingmin; Wen, Yongju; Shen, Xiuli |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 4 |
| Pages of publication | 2631 - 2634 |
| a | 5.2907 ± 0.0009 Å |
| b | 14.516 ± 0.002 Å |
| c | 23.891 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1834.8 ± 0.5 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1111 |
| 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 |
|---|---|---|---|
| 280428 (current) | 2023-01-19 | cif/ Adding structures of 7246162, 7246163 via cif-deposit CGI script. |
7246162.cif |
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Users of the data should acknowledge the original authors of the
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