Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250610
Preview
| Coordinates | 7250610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 N4 O6 |
|---|---|
| Calculated formula | C20 H16 N4 O6 |
| Title of publication | H/F Replacement in secondary alcohols of sydnones as examples of isostructural OH···O=C hydrogen bonded dimer structures |
| Authors of publication | Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 19.8269 ± 0.0013 Å |
| b | 5.3804 ± 0.0004 Å |
| c | 9.1694 ± 0.0007 Å |
| α | 90° |
| β | 96.462 ± 0.007° |
| γ | 90° |
| Cell volume | 971.95 ± 0.12 Å3 |
| Cell temperature | 296 ± 0.9 K |
| Ambient diffraction temperature | 296 ± 0.9 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0942 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.2312 |
| Weighted residual factors for all reflections included in the refinement | 0.2494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300282 (current) | 2025-07-02 | cif/ Adding structures of 7250606, 7250607, 7250608, 7250609, 7250610 via cif-deposit CGI script. |
7250610.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.