Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575561
Preview
| Coordinates | 1575561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H20 F N O2 |
|---|---|
| Calculated formula | C29 H20 F N O2 |
| 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 | 8.4255 ± 0.0005 Å |
| b | 9.5914 ± 0.0006 Å |
| c | 13.0539 ± 0.0009 Å |
| α | 93.704 ± 0.002° |
| β | 99.237 ± 0.002° |
| γ | 102.183 ± 0.002° |
| Cell volume | 1012.47 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1575561.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.