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Information card for entry 7119858
Preview
| Coordinates | 7119858.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H25 B F2 N2 O2 |
|---|---|
| Calculated formula | C27 H25 B F2 N2 O2 |
| SMILES | F[B]1(F)OC(=CC(=[O]1)c1[nH]c(c(c1C)c1ccccc1)C)c1[nH]c(c(c2ccccc2)c1C)C |
| Title of publication | Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries. |
| Authors of publication | Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2017 |
| Journal volume | 53 |
| Journal issue | 27 |
| Pages of publication | 3834 - 3837 |
| a | 8.153 ± 0.0019 Å |
| b | 17.336 ± 0.003 Å |
| c | 17.063 ± 0.005 Å |
| α | 90° |
| β | 103.317 ± 0.001° |
| γ | 90° |
| Cell volume | 2346.8 ± 1 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0345 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7119858.cif |
| 194950 | 2017-04-05 | cif/ Updating files of 7119857, 7119858, 7119859, 7119860 Original log message: Adding full bibliography for 7119857--7119860.cif. |
7119858.cif |
| 194339 | 2017-03-18 | cif/ Adding structures of 7119857, 7119858, 7119859, 7119860 via cif-deposit CGI script. |
7119858.cif |
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Users of the data should acknowledge the original authors of the
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