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Information card for entry 7157372
Preview
| Coordinates | 7157372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 F6 |
|---|---|
| Calculated formula | C20 H32 F6 |
| SMILES | F[C@@H]([C@H](F)[C@@H](F)CC[C@H](F)[C@@H](F)[C@H](F)C1CCCCC1)C1CCCCC1 |
| Title of publication | Probing the helical integrity of multivicinal all-syn-fluoro alkanes. |
| Authors of publication | Al-Maharik, Nawaf; Cordes, David B.; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 5 |
| Pages of publication | 878 - 887 |
| a | 10.939 ± 0.007 Å |
| b | 5.285 ± 0.003 Å |
| c | 35.06 ± 0.03 Å |
| α | 90° |
| β | 95.01 ± 0.02° |
| γ | 90° |
| Cell volume | 2019 ± 2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0875 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1541 |
| Weighted residual factors for all reflections included in the refinement | 0.1613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.894 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248785 (current) | 2020-03-04 | cif/ Adding structures of 7157372 via cif-deposit CGI script. |
7157372.cif |
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Users of the data should acknowledge the original authors of the
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