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Information card for entry 4518498
Preview
| Coordinates | 4518498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C82 H68 Cl4 N4 O8 |
|---|---|
| Calculated formula | C82 H68 Cl4 N4 O8 |
| Title of publication | Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer |
| Authors of publication | Wang, Jie; Shi, Dong |
| Journal of publication | ACS Omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | 5972 - 5980 |
| a | 15.1676 ± 0.0012 Å |
| b | 16.5831 ± 0.0013 Å |
| c | 17.0312 ± 0.0013 Å |
| α | 106.676 ± 0.002° |
| β | 95.767 ± 0.003° |
| γ | 116.781 ± 0.002° |
| Cell volume | 3528.7 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1552 |
| Residual factor for significantly intense reflections | 0.0751 |
| Weighted residual factors for significantly intense reflections | 0.1813 |
| Weighted residual factors for all reflections included in the refinement | 0.2504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4518498.cif |
| 262442 | 2021-03-04 | cif/ Updating files of 4518498, 4518499, 4518500 Original log message: Adding full bibliography for 4518498--4518500.cif. |
4518498.cif |
| 262075 | 2021-02-19 | cif/ Adding structures of 4518498 via cif-deposit CGI script. |
4518498.cif |
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Users of the data should acknowledge the original authors of the
structural data.