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Information card for entry 1575559
Preview
| Coordinates | 1575559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33.93 H27.86 F N O3.46 |
|---|---|
| Calculated formula | C33.928 H27.856 F N O3.464 |
| Title of publication | Solvent Attenuation of Dispersion Interactions Quantified in Polar and Nonpolar Media Using Rigid CH–π Balances |
| Authors of publication | Liu, Hao; Scott, Harrison Michael; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 22.1848 ± 0.0006 Å |
| b | 22.1848 ± 0.0006 Å |
| c | 11.2994 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5561.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0407 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301924 (current) | 2025-08-29 | cif/ Adding structures of 1575557, 1575558, 1575559, 1575560, 1575561, 1575562, 1575563 via cif-deposit CGI script. |
1575559.cif |
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Users of the data should acknowledge the original authors of the
structural data.