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Information card for entry 1545578
Preview
| Coordinates | 1545578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H16 Br3 F N2 |
|---|---|
| Calculated formula | C11 H16 Br3 F N2 |
| Title of publication | Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding |
| Authors of publication | Rosokha, Sergiy V. |
| Journal of publication | Faraday Discussions |
| Year of publication | 2017 |
| Journal volume | 203 |
| Pages of publication | 315 - 332 |
| a | 5.6232 ± 0.0002 Å |
| b | 22.4248 ± 0.0007 Å |
| c | 5.8554 ± 0.0002 Å |
| α | 90° |
| β | 93.3206 ± 0.0016° |
| γ | 90° |
| Cell volume | 737.12 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.022 |
| Residual factor for significantly intense reflections | 0.0208 |
| Weighted residual factors for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1545578.cif |
| 194287 | 2017-03-16 | cif/ Adding structures of 1545578, 1545579 via cif-deposit CGI script. |
1545578.cif |
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Users of the data should acknowledge the original authors of the
structural data.