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Information card for entry 1552978
Preview
| Coordinates | 1552978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H23 F3 N4 O |
|---|---|
| Calculated formula | C36 H23 F3 N4 O |
| Title of publication | Intramolecular C‒H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers |
| Authors of publication | Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting |
| Journal of publication | Org. Chem. Front. |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | 494 |
| a | 10.327 ± 0.002 Å |
| b | 11.834 ± 0.002 Å |
| c | 23.984 ± 0.005 Å |
| α | 79.88 ± 0.03° |
| β | 88.92 ± 0.03° |
| γ | 87.48 ± 0.03° |
| Cell volume | 2882.5 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1848 |
| Residual factor for significantly intense reflections | 0.1762 |
| Weighted residual factors for significantly intense reflections | 0.5008 |
| Weighted residual factors for all reflections included in the refinement | 0.5033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.898 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232924 (current) | 2019-11-23 | cif/ Adding structures of 1552977, 1552978 via cif-deposit CGI script. |
1552978.cif |
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Users of the data should acknowledge the original authors of the
structural data.