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Information card for entry 4518839
Preview
| Coordinates | 4518839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | DBFTCQ |
|---|---|
| Formula | C23 H11 Cl4 O2 |
| Calculated formula | C23 H11 Cl4 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 | 7.3722 ± 0.0005 Å |
| b | 9.069 ± 0.001 Å |
| c | 14.8974 ± 0.0014 Å |
| α | 94.027 ± 0.009° |
| β | 99.706 ± 0.007° |
| γ | 91.048 ± 0.007° |
| Cell volume | 978.88 ± 0.16 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 | 0.1182 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266703 (current) | 2021-06-26 | cif/ Adding structures of 4518839 via cif-deposit CGI script. |
4518839.cif |
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