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Information card for entry 7160608
Preview
| Coordinates | 7160608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 Cl F N O |
|---|---|
| Calculated formula | C15 H13 Cl F N O |
| Title of publication | Electrochemical amidochlorination between low-cost styrenes and amides. |
| Authors of publication | Liang, Xing-An; Chen, Qi-An; Wu, Weiying; Li, Yuzhen; Cheng, Yani; Huang, Mingyan; Mo, Shihua |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 5.1084 ± 0.0002 Å |
| b | 10.9354 ± 0.0003 Å |
| c | 12.2655 ± 0.0004 Å |
| α | 80.54 ± 0.003° |
| β | 87.394 ± 0.003° |
| γ | 81.359 ± 0.002° |
| Cell volume | 668.04 ± 0.04 Å3 |
| Cell temperature | 249.99 ± 0.1 K |
| Ambient diffraction temperature | 249.99 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.08 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.21 |
| Weighted residual factors for all reflections included in the refinement | 0.217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300200 (current) | 2025-06-26 | cif/ Adding structures of 7160608 via cif-deposit CGI script. |
7160608.cif |
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Users of the data should acknowledge the original authors of the
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