Information card for entry 7156121
| Formula |
C61 H68 Cl4 N4 O12 |
| Calculated formula |
C61 H68 Cl4 N4 O12 |
| SMILES |
O(c1c2cc(OC)c(c1)Cc1c(OC)cc(c(OC)c1)Cc1c(OC)cc(c(OC)c1)Cc1c(OC)cc(c(OC)c1)Cc1c3Oc4nc(OCCCCCCCCOc5nc(Oc(c(c3)C2)c1)cnc5)cnc4)C.ClCCl.ClCCl |
| Title of publication |
Guest-regulated chirality switching of planar chiral pseudo[1]catenanes. |
| Authors of publication |
Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke |
| Journal of publication |
Organic & biomolecular chemistry |
| Year of publication |
2018 |
| Journal volume |
16 |
| Journal issue |
12 |
| Pages of publication |
2028 - 2032 |
| a |
11.0365 ± 0.0007 Å |
| b |
16.7007 ± 0.001 Å |
| c |
17.2058 ± 0.001 Å |
| α |
93.872 ± 0.002° |
| β |
92.106 ± 0.002° |
| γ |
108.051 ± 0.002° |
| Cell volume |
3002.8 ± 0.3 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 |
0.1276 |
| Residual factor for significantly intense reflections |
0.0896 |
| Weighted residual factors for significantly intense reflections |
0.2567 |
| Weighted residual factors for all reflections included in the refinement |
0.2999 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.018 |
| 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/7156121.html
