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Information card for entry 4134739
Preview
| Coordinates | 4134739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H15 Cl3 I2 N2 |
|---|---|
| Calculated formula | C31 H15 Cl3 I2 N2 |
| Title of publication | Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core. |
| Authors of publication | Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 12.8601 ± 0.0013 Å |
| b | 20.375 ± 0.002 Å |
| c | 11.4044 ± 0.0012 Å |
| α | 90° |
| β | 108.467 ± 0.002° |
| γ | 90° |
| Cell volume | 2834.4 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0934 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1305 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250861 (current) | 2020-04-16 | cif/ Adding structures of 4134739 via cif-deposit CGI script. |
4134739.cif |
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Users of the data should acknowledge the original authors of the
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