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Information card for entry 1547665
Preview
| Coordinates | 1547665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C150 H138 N14 O6 |
|---|---|
| Calculated formula | C150 H138 N14 O6 |
| SMILES | OC(C#Cc1c2[nH]c3c4[nH]c5c(cc(cc5c4ccc3c2cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1nc2nc(C#Cc3c4[nH]c5c6[nH]c7c(cc(cc7c6ccc5c4cc(c3)C(C)(C)C)C(C)(C)C)C#Cc3nc4nc(ccc4cc3)C#Cc3c4[nH]c5c6[nH]c7c(cc(cc7c6ccc5c4cc(c3)C(C)(C)C)C(C)(C)C)C#Cc3nc4nc(ccc4cc3)C#Cc3c4[nH]c5c6[nH]c7c(cc(cc7c6ccc5c4cc(c3)C(C)(C)C)C(C)(C)C)C#CC(O)(C)C)ccc2cc1)(C)C.O.O.O.O |
| Title of publication | Aromatic Hybrid Foldamer with a Hydrophilic Helical Cavity Capable of Encapsulating Glucose. |
| Authors of publication | Hwang, Ji Young; Jeon, Hae-Geun; Choi, Ye Rin; Kim, Junyoung; Kang, Philjae; Lee, Seungwon; Jeong, Kyu-Sung |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 20 |
| Pages of publication | 5625 - 5628 |
| a | 17.226 ± 0.003 Å |
| b | 22.283 ± 0.005 Å |
| c | 24.02 ± 0.005 Å |
| α | 117.27 ± 0.03° |
| β | 92.88 ± 0.03° |
| γ | 96.46 ± 0.03° |
| Cell volume | 8089 ± 4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 all reflections | 0.1629 |
| Residual factor for significantly intense reflections | 0.0969 |
| Weighted residual factors for significantly intense reflections | 0.2701 |
| Weighted residual factors for all reflections included in the refinement | 0.311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547665.cif |
| 202826 | 2017-11-07 | cif/ Updating files of 1547665 Original log message: Adding full bibliography for 1547665.cif. |
1547665.cif |
| 201927 | 2017-10-12 | cif/ Adding structures of 1547665 via cif-deposit CGI script. |
1547665.cif |
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Users of the data should acknowledge the original authors of the
structural data.