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Information card for entry 4038405
Preview
| Coordinates | 4038405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H6 F4 I N O |
|---|---|
| Calculated formula | C15 H6 F4 I N O |
| Title of publication | Protecting Group Controlled Remote Regioselective Electrophilic Aromatic Halogenation Reactions. |
| Authors of publication | Brittain, William David George; Cobb, Steven L. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 4.6677 ± 0.0003 Å |
| b | 11.0185 ± 0.0007 Å |
| c | 13.017 ± 0.0008 Å |
| α | 90° |
| β | 90.865 ± 0.002° |
| γ | 90° |
| Cell volume | 669.4 ± 0.07 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0176 |
| Residual factor for significantly intense reflections | 0.0163 |
| Weighted residual factors for significantly intense reflections | 0.0397 |
| Weighted residual factors for all reflections included in the refinement | 0.0401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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 |
|---|---|---|---|
| 252287 (current) | 2020-05-23 | cif/ Adding structures of 4038405 via cif-deposit CGI script. |
4038405.cif |
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Users of the data should acknowledge the original authors of the
structural data.