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Information card for entry 7110352
Preview
| Coordinates | 7110352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H94 Cd2 N7 O23 |
|---|---|
| Calculated formula | C72 H56 Cd2 N4 O20 |
| Title of publication | Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions |
| Authors of publication | Boer, Stephanie A.; Hawes, Chris S.; Turner, David R. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2014 |
| Journal volume | 50 |
| Journal issue | 9 |
| Pages of publication | 1125 - 1127 |
| a | 19.928 ± 0.003 Å |
| b | 19.928 ± 0.003 Å |
| c | 78.862 ± 0.016 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 27122 ± 8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Residual factor for all reflections | 0.0832 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.2101 |
| Weighted residual factors for all reflections included in the refinement | 0.2175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.7108 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210842 (current) | 2018-09-11 | cif/7/11/03/ Updating bibliography in entries 7110350-7110352. |
7110352.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7110352.cif |
| 132622 | 2015-03-03 | cif/7/11/ (antanas@koala.ibt.lt) Removing the unrecognised '_cod_original_sg_name_hall' tag and value and adding a comment about space group information. |
7110352.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7110352.cif |
| 94646 | 2014-01-27 | cif/ Adding structures of 7110350, 7110351, 7110352 via cif-deposit CGI script. |
7110352.cif |
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Users of the data should acknowledge the original authors of the
structural data.