Information card for entry 7155595
| Formula |
C35 H47 N2 O13 |
| Calculated formula |
C35 H47 N2 O13 |
| 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 |
12.0268 ± 0.0004 Å |
| b |
13.3697 ± 0.0006 Å |
| c |
13.7604 ± 0.0005 Å |
| α |
105.516 ± 0.003° |
| β |
103.403 ± 0.003° |
| γ |
112.129 ± 0.004° |
| Cell volume |
1832.72 ± 0.16 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 |
0.0729 |
| Residual factor for significantly intense reflections |
0.0424 |
| Weighted residual factors for significantly intense reflections |
0.116 |
| Weighted residual factors for all reflections included in the refinement |
0.1364 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.005 |
| 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/7155595.html
