Information card for entry 1552978
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 |
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https://www.crystallography.net/1552978.html