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Information card for entry 7112160
Preview
| Coordinates | 7112160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H72 N8 O2 |
|---|---|
| Calculated formula | C70 H69 N7 O2 |
| Title of publication | Synthesis and anion binding studies of o-phenylenevinylene-bridged tetrapyrrolic macrocycle as an expanded analogue of calix[4]pyrrole |
| Authors of publication | Sudip Kumar Ghosh; Masatoshi Ishida; Jiazhu Li; Won-Young Cha; Vincent M. Lynch; Dongho Kim; Jonathan L. Sessler |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3753 |
| a | 16.3594 ± 0.0012 Å |
| b | 16.2083 ± 0.0013 Å |
| c | 24.658 ± 0.002 Å |
| α | 90° |
| β | 90.182 ± 0.004° |
| γ | 90° |
| Cell volume | 6538.2 ± 0.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1582 |
| Residual factor for significantly intense reflections | 0.1225 |
| Weighted residual factors for significantly intense reflections | 0.3419 |
| Weighted residual factors for all reflections included in the refinement | 0.3655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.69 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.