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Information card for entry 1542649
Preview
| Coordinates | 1542649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H8 Br Cu F8 N2 |
|---|---|
| Calculated formula | C16 H8 Br Cu F8 N2 |
| SMILES | BrC(F)(F)C(F)(F)C(F)(F)C([Cu]1[n]2c3c4[n]1cccc4ccc3ccc2)(F)F |
| Title of publication | Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks. |
| Authors of publication | Kaplan, Peter T.; Vicic, David A. |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 4 |
| Pages of publication | 884 - 886 |
| a | 6.598 ± 0.0006 Å |
| b | 17.1674 ± 0.0015 Å |
| c | 14.6901 ± 0.0012 Å |
| α | 90° |
| β | 95.676 ± 0.003° |
| γ | 90° |
| Cell volume | 1655.8 ± 0.2 Å3 |
| Cell temperature | 145 ± 2 K |
| Ambient diffraction temperature | 145 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0891 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1273 |
| Weighted residual factors for all reflections included in the refinement | 0.1382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.238 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177302 (current) | 2016-03-04 | cif/ Adding structures of 1542648, 1542649, 1542650, 1542651, 1542652, 1542653 via cif-deposit CGI script. |
1542649.cif |
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Users of the data should acknowledge the original authors of the
structural data.