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Information card for entry 7246036
Preview
| Coordinates | 7246036.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 | 11.839 ± 0.005 Å |
| b | 11.905 ± 0.006 Å |
| c | 12.412 ± 0.005 Å |
| α | 93.001 ± 0.016° |
| β | 116.196 ± 0.017° |
| γ | 113.954 ± 0.014° |
| Cell volume | 1376.1 ± 1.1 Å3 |
| Cell temperature | 360 ± 2 K |
| Ambient diffraction temperature | 360 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 | 0.4441 |
| Residual factor for significantly intense reflections | 0.1244 |
| Weighted residual factors for significantly intense reflections | 0.1771 |
| Weighted residual factors for all reflections included in the refinement | 0.3065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
| 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/7246036.html
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Users of the data should acknowledge the original authors of the
structural data.