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Information card for entry 1552242
Preview
| Coordinates | 1552242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C125 H180 N4 O19 |
|---|---|
| Calculated formula | C125 H180 N4 O19 |
| Title of publication | A Macrocyclic Oligofuran: Synthesis, Solid State Structure and Electronic Properties |
| Authors of publication | Mulay, Sandip V.; Dishi, Or; Fang, Yuan; Niazi, Muhammad Rizwan; Shimon, Linda JW; Perepichka, Dmitrii; Gidron, Ori |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 4.83 ± 0.001 Å |
| b | 22.78 ± 0.005 Å |
| c | 28.51 ± 0.006 Å |
| α | 79.22 ± 0.03° |
| β | 88.33 ± 0.03° |
| γ | 86.44 ± 0.03° |
| Cell volume | 3075.1 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1301 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for significantly intense reflections | 0.2789 |
| Weighted residual factors for all reflections included in the refinement | 0.3072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217594 (current) | 2019-08-20 | cif/ Adding structures of 1552242 via cif-deposit CGI script. |
1552242.cif |
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Users of the data should acknowledge the original authors of the
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