Information card for entry 7045535
| Formula |
C50 H90 F12 N4 O20 P2 |
| Calculated formula |
C50 H90 F12 N4 O20 P2 |
| SMILES |
C(=O)(c1ccc(cc1)[NH3+])N.C(=O)(c1ccc(cc1)[NH3+])N.C1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication |
Reversible phase transition and switchable dielectric behaviors triggered by rotation and order-disorder motions of crowns. |
| Authors of publication |
Liu, Yi; Zhou, Hai-Tao; Chen, Shao-Peng; Tan, Yu-Hui; Wang, Chang-Feng; Yang, Chang-Shan; Wen, He-Rui; Tang, Yun-Zhi |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2018 |
| Journal volume |
47 |
| Journal issue |
11 |
| Pages of publication |
3851 - 3856 |
| a |
10.7115 ± 0.0009 Å |
| b |
17.7665 ± 0.0015 Å |
| c |
18.5118 ± 0.0016 Å |
| α |
65.933 ± 0.002° |
| β |
87.306 ± 0.002° |
| γ |
86.158 ± 0.002° |
| Cell volume |
3208.7 ± 0.5 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1417 |
| Residual factor for significantly intense reflections |
0.1 |
| Weighted residual factors for significantly intense reflections |
0.2499 |
| Weighted residual factors for all reflections included in the refinement |
0.2883 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.056 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7045535.html
