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Information card for entry 7120796
Preview
| Coordinates | 7120796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H72 N0 O8 |
|---|---|
| Calculated formula | C68 H72 O8 |
| SMILES | c12cc(Cc3cc(c4cc(Cc5cc(c6cc(Cc7cc(c8cc(Cc9cc1c(cc9)OCC)ccc8OCC)c(cc7)OCC)ccc6OCC)c(cc5)OCC)ccc4OCC)c(cc3)OCC)ccc2OCC |
| Title of publication | 2,2’-Biphen[n]arenes (n = 4‒8): one-step, high-yield synthesis and host‒guest properties |
| Authors of publication | Dai, Lu; Ding, Zhi-Jun; Cui, Lei; Li, Jian; Jia, Xueshun; Li, Chunju |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 14.9705 ± 0.0005 Å |
| b | 26.3806 ± 0.0007 Å |
| c | 14.5006 ± 0.0004 Å |
| α | 90° |
| β | 106.603 ± 0.003° |
| γ | 90° |
| Cell volume | 5488 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1248 |
| Residual factor for significantly intense reflections | 0.0947 |
| Weighted residual factors for significantly intense reflections | 0.2403 |
| Weighted residual factors for all reflections included in the refinement | 0.262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202038 (current) | 2017-10-17 | cif/ Adding structures of 7120796 via cif-deposit CGI script. |
7120796.cif |
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Users of the data should acknowledge the original authors of the
structural data.