Information card for entry 7241140
| Formula |
C21 H12 O3 S |
| Calculated formula |
C21 H12 O3 S |
| SMILES |
s1c2c3c4c5ccccc5C(=O)c4ccc3ccc2cc1C(=O)OC |
| Title of publication |
Helically shaped cation receptor: design, synthesis, characterisation and first application to ion transport |
| Authors of publication |
Boufroura, Hamza; Plais, Romain; Poyer, Salomé; Gaucher, Anne; Marrot, Jérome; Clavier, Gilles; Legrand, François-Xavier; Huin, Cécile; Guégan, Philippe; Prim, Damien; Salpin, Jean-Yves |
| Journal of publication |
RSC Advances |
| Year of publication |
2020 |
| Journal volume |
10 |
| Journal issue |
52 |
| Pages of publication |
31670 - 31679 |
| a |
3.8428 ± 0.0003 Å |
| b |
36.328 ± 0.003 Å |
| c |
11.0693 ± 0.0008 Å |
| α |
90° |
| β |
91.93 ± 0.004° |
| γ |
90° |
| Cell volume |
1544.4 ± 0.2 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0818 |
| Residual factor for significantly intense reflections |
0.067 |
| Weighted residual factors for significantly intense reflections |
0.1602 |
| Weighted residual factors for all reflections included in the refinement |
0.1709 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7241140.html
