Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246037
Preview
| Coordinates | 7246037.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 N2 O17 |
|---|---|
| Calculated formula | C26 H28 N2 O17 |
| Title of publication | Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate |
| Authors of publication | Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 5 |
| Pages of publication | 770 - 784 |
| a | 11.855 ± 0.004 Å |
| b | 11.927 ± 0.005 Å |
| c | 12.429 ± 0.004 Å |
| α | 93.021 ± 0.016° |
| β | 116.163 ± 0.016° |
| γ | 113.993 ± 0.013° |
| Cell volume | 1382.2 ± 0.9 Å3 |
| Cell temperature | 355 ± 2 K |
| Ambient diffraction temperature | 355 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 | 0.3987 |
| Residual factor for significantly intense reflections | 0.1287 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.2369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7246037.html
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.