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Information card for entry 1551487
Preview
| Coordinates | 1551487.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 F4 I2 N6 O2 |
|---|---|
| Calculated formula | C22 H20 F4 I2 N6 O2 |
| SMILES | c1ccc(cn1)NC(=O)NCCCCNC(=O)Nc1cccnc1.c1(c(F)c(c(c(c1F)F)I)F)I |
| Title of publication | Halogen-bonding-triggered supramolecular gel formation |
| Authors of publication | Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed |
| Journal of publication | Nature Chemistry |
| Year of publication | 2013 |
| Journal volume | 5 |
| Pages of publication | 42 - 47 |
| a | 4.6214 ± 0.0007 Å |
| b | 9.4623 ± 0.0015 Å |
| c | 28.332 ± 0.005 Å |
| α | 90° |
| β | 91.188 ± 0.003° |
| γ | 90° |
| Cell volume | 1238.7 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.051855 |
| Residual factor for significantly intense reflections | 0.043799 |
| Weighted residual factors for all reflections included in the refinement | 0.070696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.28163 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216059 (current) | 2019-06-18 | cif/ Adding structures of 1551487 via cif-deposit CGI script. |
1551487.cif |
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