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Information card for entry 1518176
Preview
| Coordinates | 1518176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H62 F24 N8 O10 P4 |
|---|---|
| Calculated formula | C66 H62 F24 N8 O10 P4 |
| SMILES | [n+]12ccc(c3cc[n+](cc3)Cc3ccc(C[n+]4ccc(c5cc[n+](Cc6ccc(C2)cc6)cc5)cc4)cc3)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1c2nc(Oc3cc4Oc5nc(Oc6cc(OCCOCCOCCOCCOCCOc(c4)c3)cc1c6)cnc5)cnc2 |
| Title of publication | [2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs. |
| Authors of publication | Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 22 |
| Pages of publication | 5894 - 5897 |
| a | 24.3811 ± 0.0008 Å |
| b | 17.445 ± 0.0006 Å |
| c | 20.4684 ± 0.0007 Å |
| α | 90° |
| β | 91.25 ± 0.001° |
| γ | 90° |
| Cell volume | 8703.7 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1596 |
| Residual factor for significantly intense reflections | 0.1016 |
| Weighted residual factors for significantly intense reflections | 0.2953 |
| Weighted residual factors for all reflections included in the refinement | 0.3298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518176.cif |
| 131499 | 2015-02-08 | cif/ Updating files of 1518175, 1518176, 1518177 Original log message: Adding full bibliography for 1518175--1518177.cif. |
1518176.cif |
| 126216 | 2014-11-04 | cif/ Adding structures of 1518176 via cif-deposit CGI script. |
1518176.cif |
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Users of the data should acknowledge the original authors of the
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