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Information card for entry 1564902
Preview
| Coordinates | 1564902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H20 O8 S4 |
|---|---|
| Calculated formula | C34 H20 O8 S4 |
| SMILES | C(=O)(c1ccc(cc1)C1=C(c2ccc(C(=O)O)cc2)SC(S1)=C1SC(=C(S1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O)O |
| Title of publication | Coordination-Bond-Directed Synthesis of Hydrogen-bonded Organic Frameworks from Metal–Organic Frameworks as Templates |
| Authors of publication | Su, Jian; Yuan, Shuai; Cheng, Yi-Xun; Yang, Zhi-Mei; Zuo, Jing-Lin |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 20.495 ± 0.01 Å |
| b | 34.798 ± 0.016 Å |
| c | 8.801 ± 0.005 Å |
| α | 90° |
| β | 102.997 ± 0.013° |
| γ | 90° |
| Cell volume | 6116 ± 5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1327 |
| Residual factor for significantly intense reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.2039 |
| Weighted residual factors for all reflections included in the refinement | 0.2313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269889 (current) | 2021-10-12 | cif/ Adding structures of 1564900, 1564901, 1564902 via cif-deposit CGI script. |
1564902.cif |
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Users of the data should acknowledge the original authors of the
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