Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575773
Preview
| Coordinates | 1575773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H17 F6 N2 O |
|---|---|
| Calculated formula | C28 H17 F6 N2 O |
| a | 9.1816 ± 0.0003 Å |
| b | 9.6057 ± 0.0002 Å |
| c | 14.076 ± 0.0003 Å |
| α | 90° |
| β | 97.815 ± 0.002° |
| γ | 90° |
| Cell volume | 1229.91 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0746 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.1728 |
| Weighted residual factors for all reflections included in the refinement | 0.1862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302151 (current) | 2025-09-16 | cif/ Adding structures of 1575773, 1575774 via cif-deposit CGI script. |
1575773.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.