Information card for entry 2202216
| Chemical name |
2-Methoxymethyl-1,3-dithiolane 1,1,3,3-tetraoxide |
| Formula |
C5 H10 O5 S2 |
| Calculated formula |
C5 H10 O5 S2 |
| SMILES |
S1(=O)(=O)C(S(=O)(=O)CC1)COC |
| Title of publication |
2-Methoxymethyl-1,3-dithiolane 1,1,3,3-tetraoxide |
| Authors of publication |
Özcan, Özlem; Gültekin, Zeynep; Frey, Wolfgang; Hökelek, Tuncer |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2003 |
| Journal volume |
59 |
| Journal issue |
6 |
| Pages of publication |
o747 - o749 |
| a |
6.7699 ± 0.001 Å |
| b |
9.1736 ± 0.0013 Å |
| c |
14.5311 ± 0.0019 Å |
| α |
77.91 ± 0.011° |
| β |
85.013 ± 0.011° |
| γ |
86.886 ± 0.012° |
| Cell volume |
878.5 ± 0.2 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 |
0.042 |
| Residual factor for significantly intense reflections |
0.0371 |
| Weighted residual factors for significantly intense reflections |
0.0999 |
| Weighted residual factors for all reflections included in the refinement |
0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.119 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2202216.html
