Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250465
Preview
| Coordinates | 7250465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N O4 |
|---|---|
| Calculated formula | C19 H21 N O4 |
| Title of publication | Structural and Computational Analysis of H-bond mediated anion···anion interactions in new salts of Fumaric and Maleic Acids |
| Authors of publication | Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 7.9935 ± 0.0007 Å |
| b | 10.9224 ± 0.001 Å |
| c | 11.3553 ± 0.001 Å |
| α | 76.15 ± 0.005° |
| β | 75.668 ± 0.005° |
| γ | 72.689 ± 0.005° |
| Cell volume | 902.21 ± 0.14 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1099 |
| Residual factor for significantly intense reflections | 0.0908 |
| Weighted residual factors for significantly intense reflections | 0.2727 |
| Weighted residual factors for all reflections included in the refinement | 0.2846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299855 (current) | 2025-05-29 | cif/ Adding structures of 7250461, 7250462, 7250463, 7250464, 7250465, 7250466 via cif-deposit CGI script. |
7250465.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.