Information card for entry 7054499
| Formula |
C17 H19 F I3 N3 O3 |
| Calculated formula |
C17 H19 F I3 N3 O3 |
| SMILES |
C(=O)(c1c(=O)c2cc(c(cc2n(c1)C1CC1)N1CC[NH2+]CC1)F)O.I[I-]I |
| Title of publication |
Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution |
| Authors of publication |
Zou, Wen-Sheng; Lin, Sen; Li, Jia-Yuan; Wei, Hong-Qing; Zhang, Xiao-Qin; Shen, Dong-Xu; Qiao, Jun-Qin; Lian, Hong-Zhen; Xie, Dai-Qian; Ge, Xin |
| Journal of publication |
New J. Chem. |
| Year of publication |
2015 |
| Journal volume |
39 |
| Journal issue |
1 |
| Pages of publication |
262 |
| a |
8.1001 ± 0.0007 Å |
| b |
9.6437 ± 0.0008 Å |
| c |
13.9228 ± 0.0012 Å |
| α |
87.481 ± 0.001° |
| β |
77.694 ± 0.002° |
| γ |
77.279 ± 0.001° |
| Cell volume |
1036.5 ± 0.15 Å3 |
| Cell temperature |
291 ± 2 K |
| Ambient diffraction temperature |
291 ± 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 |
0.0866 |
| Residual factor for significantly intense reflections |
0.0559 |
| Weighted residual factors for significantly intense reflections |
0.1106 |
| Weighted residual factors for all reflections included in the refinement |
0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
| 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/7054499.html
