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Information card for entry 7226008
Preview
| Coordinates | 7226008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H36 S4 |
|---|---|
| Calculated formula | C60 H36 S4 |
| Title of publication | Bisanthra-thianthrene: synthesis, structure and oxidation properties |
| Authors of publication | Yamada, Hiroko; Yamashita, Masataka; Hayashi, Hironobu; Suzuki, Mitsuharu; Kuzuhara, Daiki; Yuasa, Junpei; Kawai, Tsuyoshi; Aratani, Naoki |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.6722 ± 0.0006 Å |
| b | 26.7274 ± 0.0015 Å |
| c | 11.2684 ± 0.0006 Å |
| α | 90° |
| β | 106.882 ± 0.0012° |
| γ | 90° |
| Cell volume | 2787.5 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1434 |
| Residual factor for significantly intense reflections | 0.0772 |
| Weighted residual factors for significantly intense reflections | 0.1911 |
| Weighted residual factors for all reflections included in the refinement | 0.2263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184611 (current) | 2016-07-22 | cif/ Adding structures of 7226008, 7226009 via cif-deposit CGI script. |
7226008.cif |
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Users of the data should acknowledge the original authors of the
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