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Information card for entry 1574191
Preview
| Coordinates | 1574191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C180 H120 N12 O24 |
|---|---|
| Calculated formula | C180 H120 N12 O24 |
| SMILES | c1cc2c3c4ccc5c3c1C(=O)N(C5=O)[C@@H]1[C@@H](N3C(=O)c5c6c(ccc7c6c(cc5)C(=O)N(C7=O)[C@@H]5[C@@H](N6C(=O)c7c8c(ccc9c8c(cc7)C(=O)N([C@@H]7[C@@H](N(C4=O)C2=O)CCCC7)C9=O)C6=O)CCCC5)C3=O)CCCC1.c12c3cccc1cccc2c1c2c3cccc2ccc1.c1cc2c3c4ccc5c3c1C(=O)N(C5=O)[C@@H]1[C@@H](n3c(=O)c5c6c(ccc7c6c(cc5)C(=O)N(C7=O)[C@@H]5[C@@H](N6C(=O)c7c8c(ccc9c8c(cc7)C(=O)N(C9=O)[C@@H]7[C@@H](N(C4=O)C2=O)CCCC7)C6=O)CCCC5)C3=O)CCCC1.c12c3cccc1cccc2c1c2c3cccc2ccc1.c12c3cccc1cccc2c1c2c3cccc2ccc1 |
| Title of publication | Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence |
| Authors of publication | Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 17 |
| Pages of publication | 7513 - 7522 |
| a | 24.0472 ± 0.0004 Å |
| b | 24.0472 ± 0.0004 Å |
| c | 25.966 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 13003.6 ± 0.4 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.1251 |
| Residual factor for significantly intense reflections | 0.1157 |
| Weighted residual factors for significantly intense reflections | 0.2923 |
| Weighted residual factors for all reflections included in the refinement | 0.304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300586 (current) | 2025-07-06 | cif/ Updating files of 1574186, 1574187, 1574188, 1574189, 1574190, 1574191 Original log message: Adding full bibliography for 1574186--1574191.cif. |
1574191.cif |
| 298525 | 2025-03-20 | cif/ Adding structures of 1574186, 1574187, 1574188, 1574189, 1574190, 1574191 via cif-deposit CGI script. |
1574191.cif |
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Users of the data should acknowledge the original authors of the
structural data.