Information card for entry 7155594
| Formula |
C38 H52 N2 O16 |
| Calculated formula |
C38 H52 N2 O16 |
| Title of publication |
Synthetic water soluble di-/tritopic molecular receptors exhibiting Ca2+/Mg2+ exchange |
| Authors of publication |
Lavie-Cambot, Aurélie; Tron, Arnaud; Ducrot, Aurelien; Castet, Frederic; Kauffmann, Brice; Beauté, Louis; Allouchi, Hassan; Pozzo, Jean-Luc; Bonnet, Célia; McClenaghan, Nathan D. |
| Journal of publication |
Org. Biomol. Chem. |
| Year of publication |
2017 |
| a |
8.7653 ± 0.0011 Å |
| b |
15.5191 ± 0.0017 Å |
| c |
16.6792 ± 0.0018 Å |
| α |
67.964 ± 0.01° |
| β |
75.967 ± 0.01° |
| γ |
74.401 ± 0.01° |
| Cell volume |
2000 ± 0.4 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170 ± 2 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 |
0.0882 |
| Residual factor for significantly intense reflections |
0.0456 |
| Weighted residual factors for significantly intense reflections |
0.1089 |
| Weighted residual factors for all reflections included in the refinement |
0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.937 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7155594.html
