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Information card for entry 7114919
Preview
Coordinates | 7114919.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H80 O38 |
---|---|
Calculated formula | C66 O38 |
SMILES | [C@H]12O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]4[C@@H]([C@H]([C@H](O[C@@H]5[C@@H]([C@H]([C@H](O[C@@H]6[C@@H]([C@H]([C@H](O[C@@H]7[C@@H]([C@H]([C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2CO)[C@H](O7)CO)O)O)[C@H](O6)CO)O)O)[C@H](O5)CO)O)O)[C@H](O4)CO)O)O)[C@H](O3)CO)O)O.c1c(cc(cc1c1ccc(cc1)/C=C/c1ccc(cc1)c1cc(cc(c1)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
Title of publication | Synthesis of fluorescent stilbene and tolan rotaxanes by Suzuki coupling |
Authors of publication | Stanier, Carol A.; O’Connell, Michael J.; Anderson, Harry L.; Clegg, William |
Journal of publication | Chemical Communications |
Year of publication | 2001 |
Journal issue | 5 |
Pages of publication | 493 |
a | 20.767 ± 0.005 Å |
b | 13.96 ± 0.003 Å |
c | 28.085 ± 0.007 Å |
α | 90° |
β | 107.479 ± 0.003° |
γ | 90° |
Cell volume | 7766 ± 3 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | I 1 2 1 |
Hall space group symbol | I 2y |
Residual factor for all reflections | 0.168 |
Residual factor for significantly intense reflections | 0.1638 |
Weighted residual factors for significantly intense reflections | 0.3911 |
Weighted residual factors for all reflections included in the refinement | 0.3941 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.6942 Å |
Diffraction radiation type | synchrotron |
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/7114919.html
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Users of the data should acknowledge the original authors of the
structural data.