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Information card for entry 8000471
Preview
| Coordinates | 8000471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H28 F4 |
|---|---|
| Calculated formula | C42 H26 F4 |
| Title of publication | Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate. |
| Authors of publication | Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 24 |
| Pages of publication | 10504 - 10510 |
| a | 11.952 ± 0.002 Å |
| b | 12.348 ± 0.003 Å |
| c | 13.306 ± 0.003 Å |
| α | 63.93 ± 0.03° |
| β | 85.6 ± 0.03° |
| γ | 73.85 ± 0.03° |
| Cell volume | 1692 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.65252 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260405 (current) | 2021-01-04 | cif/ Adding structures of 8000471 via cif-deposit CGI script. |
8000471.cif |
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Users of the data should acknowledge the original authors of the
structural data.