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Information card for entry 4518838
Preview
| Coordinates | 4518838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H22 |
|---|---|
| Calculated formula | C34 H22 |
| 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 | 10.7705 ± 0.0019 Å |
| b | 17.623 ± 0.003 Å |
| c | 23.643 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4487.6 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0917 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.878 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266702 (current) | 2021-06-26 | cif/ Adding structures of 4518838 via cif-deposit CGI script. |
4518838.cif |
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Users of the data should acknowledge the original authors of the
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