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Information card for entry 7059189
Preview
| Coordinates | 7059189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | A2-OMe |
|---|---|
| Chemical name | A2-OMe and DIB |
| Formula | C26 H18 F4 I2 N4 O4 |
| Calculated formula | C26 H18 F4 I2 N4 O4 |
| Title of publication | Novel liquid crystalline organogelators based on terephthalic acid and terephthalaldehyde derivatives: properties and promotion through the formation of halogen bonding |
| Authors of publication | Huang, Yaodong; Zhang, Xiaojie; Cui, Wei; Wang, Xin; Li, Bin; Zhang, Yongxin; Yang, Junjiao |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 614 - 625 |
| a | 8.3364 ± 0.0003 Å |
| b | 8.9922 ± 0.0002 Å |
| c | 9.0984 ± 0.0001 Å |
| α | 82.895 ± 0.002° |
| β | 73.539 ± 0.002° |
| γ | 84.883 ± 0.002° |
| Cell volume | 648.01 ± 0.03 Å3 |
| Cell temperature | 160 ± 0.1 K |
| Ambient diffraction temperature | 160 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0281 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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 |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059189.cif |
| 257752 | 2020-10-06 | cif/ Updating files of 7059189 Original log message: Adding full bibliography for 7059189.cif. |
7059189.cif |
| 246392 | 2020-01-01 | cif/ Adding structures of 7059189 via cif-deposit CGI script. |
7059189.cif |
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Users of the data should acknowledge the original authors of the
structural data.