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Information card for entry 4349517
Preview
| Coordinates | 4349517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | L3 |
|---|---|
| Chemical name | L3 |
| Formula | C50 H56 N6 O6 |
| Calculated formula | C50 H56 N6 O6 |
| SMILES | C1(COC(=N1)c1cc(cc(n1)C1=NC(CO1)(C)C)c1ccc(cc1)c1ccc(c2ccc(c3cc(C4=NC(C)(C)CO4)nc(c3)C3=NC(CO3)(C)C)cc2)cc1)(C)C.OC.OC |
| Title of publication | Fluorescence tuning of Zn(ii)-based metallo-supramolecular coordination polymers and their application for picric acid detection |
| Authors of publication | Li, Hong-Qing; Ding, Zhong-Yu; Pan, Yao; Liu, Chun-Hua; Zhu, Yuan-Yuan |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 11 |
| Pages of publication | 1363 |
| a | 10.24 ± 0.002 Å |
| b | 10.25 ± 0.002 Å |
| c | 12.374 ± 0.003 Å |
| α | 86.03 ± 0.03° |
| β | 67.18 ± 0.03° |
| γ | 69.76 ± 0.03° |
| Cell volume | 1120 ± 0.5 Å3 |
| Cell temperature | 153.15 K |
| Ambient diffraction temperature | 153.15 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 | 0.0614 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349517.cif |
| 234847 | 2019-11-23 | cif/ Adding structures of 4349516, 4349517, 4349518 via cif-deposit CGI script. |
4349517.cif |
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Users of the data should acknowledge the original authors of the
structural data.