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Information card for entry 4036182
Preview
| Coordinates | 4036182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 B F4 N O |
|---|---|
| Calculated formula | C14 H16 B F3.9996 N O |
| Title of publication | Synthesis of bench-stable diarylmethylium tetrafluoroborates. |
| Authors of publication | Barbero, Margherita; Buscaino, Roberto; Cadamuro, Silvano; Dughera, Stefano; Gualandi, Andrea; Marabello, Domenica; Cozzi, Pier Giorgio |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 9 |
| Pages of publication | 4791 - 4796 |
| a | 13.8025 ± 0.0013 Å |
| b | 12.8183 ± 0.0006 Å |
| c | 16.7453 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2962.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1005 |
| Residual factor for significantly intense reflections | 0.0889 |
| Weighted residual factors for significantly intense reflections | 0.2737 |
| Weighted residual factors for all reflections included in the refinement | 0.2891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234357 (current) | 2019-11-23 | cif/ Adding structures of 4036182 via cif-deposit CGI script. |
4036182.cif |
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Users of the data should acknowledge the original authors of the
structural data.