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Information card for entry 7063783
Preview
| Coordinates | 7063783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H22 O S2 |
|---|---|
| Calculated formula | C29 H21.7 O S2 |
| Title of publication | Synthesis, structure and electronic transport properties of phenanthrenone derivatives |
| Authors of publication | Shen, Shan-Shan; Xiao, Ya-Ting; Bai, Zhe-Hao; Gan, Ziyang; Ding, Ye-Hao; Yan, Jian-Feng; Li, Yuanming; Geng, Yanhou; Yuan, Yaofeng |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 10.2519 ± 0.0008 Å |
| b | 10.7695 ± 0.0006 Å |
| c | 12.0148 ± 0.0006 Å |
| α | 66.426 ± 0.005° |
| β | 85.195 ± 0.005° |
| γ | 64.595 ± 0.007° |
| Cell volume | 1092.05 ± 0.15 Å3 |
| Cell temperature | 296.15 ± 0.1 K |
| Ambient diffraction temperature | 296.15 ± 0.1 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 | 0.1424 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299468 (current) | 2025-05-01 | cif/ Adding structures of 7063780, 7063781, 7063782, 7063783 via cif-deposit CGI script. |
7063783.cif |
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Users of the data should acknowledge the original authors of the
structural data.