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Information card for entry 7239489
Preview
| Coordinates | 7239489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H34 Cl4 N12 O17 |
|---|---|
| Calculated formula | C44 H34 Cl4 N12 O17 |
| Title of publication | Designed self-assemblies based on cooperative noncovalent interactions including anion–π, lone-pair electron–π and hydrogen bonding |
| Authors of publication | Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 18 |
| Pages of publication | 9339 |
| a | 13.47 ± 0.003 Å |
| b | 12.046 ± 0.002 Å |
| c | 30.738 ± 0.006 Å |
| α | 90° |
| β | 92.59 ± 0.03° |
| γ | 90° |
| Cell volume | 4982.4 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1316 |
| Residual factor for significantly intense reflections | 0.118 |
| Weighted residual factors for significantly intense reflections | 0.2428 |
| Weighted residual factors for all reflections included in the refinement | 0.2509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.279 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239489.cif |
| 244730 | 2019-11-28 | cif/ Adding structures of 7239486, 7239487, 7239488, 7239489 via cif-deposit CGI script. |
7239489.cif |
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Users of the data should acknowledge the original authors of the
structural data.