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Information card for entry 7230558
Preview
| Coordinates | 7230558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H44 |
|---|---|
| Calculated formula | C56 H44 |
| Title of publication | A series of 4,5,9,10-tetrahydropyrene-based tetraarylethenes: synthesis, structures and solid-state emission behavior |
| Authors of publication | Zhang, Zhao-Ming; Miao, Bao-Xi; Tang, Xin-Xue; Ni, Zhong-Hai |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 27 |
| Pages of publication | 15173 |
| a | 8.1823 ± 0.0016 Å |
| b | 12.694 ± 0.003 Å |
| c | 19.994 ± 0.004 Å |
| α | 90.14 ± 0.03° |
| β | 93.52 ± 0.03° |
| γ | 101.8 ± 0.03° |
| Cell volume | 2028.7 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1356 |
| Residual factor for significantly intense reflections | 0.0816 |
| Weighted residual factors for significantly intense reflections | 0.1866 |
| Weighted residual factors for all reflections included in the refinement | 0.215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230558.cif |
| 207465 | 2018-04-24 | cif/ Adding structures of 7230557, 7230558 via cif-deposit CGI script. |
7230558.cif |
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Users of the data should acknowledge the original authors of the
structural data.