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Information card for entry 4518836
Preview
| Coordinates | 4518836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | DBFTFQ |
|---|---|
| Formula | C23 H11 F4 O2 |
| Calculated formula | C23 H11 F4 O2 |
| Title of publication | Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor. |
| Authors of publication | Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan |
| Journal of publication | Langmuir : the ACS journal of surfaces and colloids |
| Year of publication | 2021 |
| a | 6.5187 ± 0.0011 Å |
| b | 9.1305 ± 0.0016 Å |
| c | 15.218 ± 0.003 Å |
| α | 80.786 ± 0.016° |
| β | 77.885 ± 0.016° |
| γ | 73.818 ± 0.015° |
| Cell volume | 845.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266700 (current) | 2021-06-26 | cif/ Adding structures of 4518836 via cif-deposit CGI script. |
4518836.cif |
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Users of the data should acknowledge the original authors of the
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