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Information card for entry 7224441
Preview
Coordinates | 7224441.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C118 H146 F24 N6 O24 P4 S4 |
---|---|
Calculated formula | C118 H146 F24 N6 O24 P4 S4 |
SMILES | c1(cc[n+](CCOC)cc1)c1cc[n+](CCOC)cc1.c1cc2c(cc1)C1(C)c3c4C2(C)c2cc5OCCOCCOCCOCCOc6cc7C8(c9c(cccc9)C(C)(c7cc6OCCOCCOCCOCCOc5cc12)c1cc2OCCOCCOCCOCCOc(c3)c(OCCOCCOCCOCCOc2cc81)c4)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.S1C(SC=C1)=C1SC=CS1.c1(cc[n+](CCOC)cc1)c1cc[n+](CCOC)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC |
Title of publication | Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons |
Authors of publication | Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 26 |
Pages of publication | 4900 |
a | 15.07 ± 0.004 Å |
b | 15.155 ± 0.003 Å |
c | 16.795 ± 0.004 Å |
α | 69.85 ± 0.02° |
β | 78.78 ± 0.02° |
γ | 60.465 ± 0.016° |
Cell volume | 3131.6 ± 1.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1697 |
Residual factor for significantly intense reflections | 0.135 |
Weighted residual factors for significantly intense reflections | 0.3082 |
Weighted residual factors for all reflections included in the refinement | 0.3333 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.433 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7224441.html
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Users of the data should acknowledge the original authors of the
structural data.