Information card for entry 1517199
| Formula |
C26 H34 O5 S2 |
| Calculated formula |
C26 H34 O5 S2 |
| SMILES |
S1Cc2cc(C)cc3c2OCCOCCOCCOCCOc2c(cc(C)cc2CSC3)C1 |
| Title of publication |
Synthesis, Complexation, and Supramolecular Assembly of 21,30-Dithia-17,25-dimethyl-1,4,7,10,13- pentaoxa[13.3.3](1,2,6)cyclophane† |
| Authors of publication |
Xu, Jianwei; Lai, Yee-Hing |
| Journal of publication |
Organic Letters |
| Year of publication |
2002 |
| Journal volume |
4 |
| Journal issue |
19 |
| Pages of publication |
3211 |
| a |
9.1151 ± 0.0001 Å |
| b |
10.0902 ± 0.0003 Å |
| c |
13.9221 ± 0.0004 Å |
| α |
89.227 ± 0.001° |
| β |
85.947 ± 0.001° |
| γ |
83.901 ± 0.002° |
| Cell volume |
1270 ± 0.05 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.112 |
| Residual factor for significantly intense reflections |
0.0715 |
| Weighted residual factors for all reflections |
0.1889 |
| Weighted residual factors for significantly intense reflections |
0.1698 |
| Goodness-of-fit parameter for all reflections |
1 |
| Goodness-of-fit parameter for significantly intense reflections |
1.154 |
| 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/1517199.html
