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Information card for entry 1553858
Preview
| Coordinates | 1553858.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H125 N3 O10 |
|---|---|
| Calculated formula | C90 H125 N3 O10 |
| SMILES | Oc1cc2c(OCCCCCCCC)cc1Cc1cc(O)c(cc1OCCCCCCCC)Cc1cc(O)c(cc1OCCCCCCCC)Cc1cc(O)c(cc1OCCCCCCCC)Cc1c(OCCCCCCCC)cc(c(O)c1)C2.n1ccccc1.n1ccccc1.n1ccccc1 |
| Title of publication | A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state |
| Authors of publication | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | 10 |
| a | 13.633 ± 0.004 Å |
| b | 15.357 ± 0.004 Å |
| c | 20.965 ± 0.005 Å |
| α | 91.591 ± 0.007° |
| β | 94.087 ± 0.007° |
| γ | 111.251 ± 0.008° |
| Cell volume | 4073.6 ± 1.9 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for all reflections included in the refinement | 0.1486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236101 (current) | 2019-11-24 | cif/ Adding structures of 1553856, 1553857, 1553858, 1553859, 1553860, 1553861, 1553862, 1553863, 1553864, 1553865 via cif-deposit CGI script. |
1553858.cif |
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Users of the data should acknowledge the original authors of the
structural data.