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Information card for entry 4514015
Preview
| Coordinates | 4514015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H19 F3 I N O3 |
|---|---|
| Calculated formula | C17 H19 F3 I N O3 |
| Title of publication | Visible-Light-Promoted Atom Transfer Radical Cyclization of Unactivated Alkyl Iodides |
| Authors of publication | Shen, Yangyang; Cornella, Josep; Juliá-Hernández, Francisco; Martin, Ruben |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 409 |
| a | 47.1143 ± 0.0006 Å |
| b | 4.86847 ± 0.00008 Å |
| c | 16.0241 ± 0.0002 Å |
| α | 90° |
| β | 97.7446 ± 0.0011° |
| γ | 90° |
| Cell volume | 3641.99 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191230 (current) | 2017-02-03 | cif/ Adding structures of 4514015 via cif-deposit CGI script. |
4514015.cif |
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Users of the data should acknowledge the original authors of the
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