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Information card for entry 4037477
Preview
| Coordinates | 4037477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H24 Br2 N2 |
|---|---|
| Calculated formula | C38 H24 Br2 N2 |
| Title of publication | Coupling Radical Homoallylic Expansions with C-C Fragmentations for the Synthesis of Heteroaromatics: Quinolines from Reactions of o-Alkenylarylisonitriles with Aryl, Alkyl, and Perfluoroalkyl Radicals. |
| Authors of publication | Evoniuk, Christopher J.; Gomes, Gabriel Dos Passos; Ly, Michelle; White, Frankie D.; Alabugin, Igor V. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 8 |
| Pages of publication | 4265 - 4278 |
| a | 4.0508 ± 0.0005 Å |
| b | 12.2873 ± 0.0015 Å |
| c | 15.1864 ± 0.0019 Å |
| α | 103.756 ± 0.002° |
| β | 94.792 ± 0.002° |
| γ | 109.637 ± 0.002° |
| Cell volume | 680.37 ± 0.15 Å3 |
| Cell temperature | 137 ± 2 K |
| Ambient diffraction temperature | 137 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0631 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236219 (current) | 2019-11-24 | cif/ Adding structures of 4037477 via cif-deposit CGI script. |
4037477.cif |
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Users of the data should acknowledge the original authors of the
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