Information card for entry 7240984
| Chemical name |
4-aminobenzoic acid dioxane solvate |
| Formula |
C18 H22 N2 O6 |
| Calculated formula |
C18 H22 N2 O6 |
| Title of publication |
Can solvated intermediates inform us about nucleation pathways? The case of β-pABA |
| Authors of publication |
Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2020 |
| a |
22.4397 ± 0.0009 Å |
| b |
20.5326 ± 0.0007 Å |
| c |
11.9083 ± 0.0004 Å |
| α |
90° |
| β |
105.194 ± 0.003° |
| γ |
90° |
| Cell volume |
5294.9 ± 0.3 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.1292 |
| Residual factor for significantly intense reflections |
0.0801 |
| Weighted residual factors for significantly intense reflections |
0.2062 |
| Weighted residual factors for all reflections included in the refinement |
0.2386 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| 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/7240984.html
