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Information card for entry 7129205
Preview
| Coordinates | 7129205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4,4'-(4,11-dipropylbenzo[5,6][1,4]dithiino[2,3-b]thianthrene-2,9-diyl)dipyridine |
|---|---|
| Formula | C34 H28 N2 S4 |
| Calculated formula | C34 H28 N2 S4 |
| Title of publication | A Self-assembled M2L2 Truncated Square and its Application as a Container for Fullerenes |
| Authors of publication | Yuan, Jun; Lv, Wanqian; Li, Anquan; Zhu, Kelong |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 8.028 ± 0.0001 Å |
| b | 10.8723 ± 0.0002 Å |
| c | 37.5335 ± 0.0005 Å |
| α | 90° |
| β | 94.368 ± 0.001° |
| γ | 90° |
| Cell volume | 3266.51 ± 0.08 Å3 |
| Cell temperature | 223 ± 0.1 K |
| Ambient diffraction temperature | 223 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1681 |
| Weighted residual factors for all reflections included in the refinement | 0.1738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270520 (current) | 2021-11-07 | cif/ Adding structures of 7129205, 7129206, 7129207 via cif-deposit CGI script. |
7129205.cif |
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