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Information card for entry 1551486
Preview
| Coordinates | 1551486.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 F4 I2 N6 O4 |
|---|---|
| Calculated formula | C30 H32 F4 I2 N6 O4 |
| 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 | 6.3339 ± 0.001 Å |
| b | 15.5864 ± 0.0014 Å |
| c | 17.6362 ± 0.0017 Å |
| α | 88.14 ± 0.008° |
| β | 83.243 ± 0.011° |
| γ | 78.306 ± 0.01° |
| Cell volume | 1693 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.1319 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216058 (current) | 2019-06-18 | cif/ Adding structures of 1551486 via cif-deposit CGI script. |
1551486.cif |
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Users of the data should acknowledge the original authors of the
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