Information card for entry 2007096
| Common name |
Tetramethylsulfate |
| Chemical name |
1,3,2-Dioxathiepane, 2,2-dioxide |
| Formula |
C4 H8 O4 S |
| Calculated formula |
C4 H8 O4 S |
| SMILES |
C1CCCOS(=O)(=O)O1 |
| Title of publication |
A Cyclic Sulfate with a Seven-Membered Ring: 1,3,2-Dioxathiepane 2,2-Dioxide |
| Authors of publication |
Krüger, Carl; Kessler, Magnus; Six, Christian; Leitner, Walter |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1998 |
| Journal volume |
54 |
| Journal issue |
3 |
| Pages of publication |
389 - 390 |
| a |
6.4376 ± 0.0008 Å |
| b |
9.744 ± 0.0009 Å |
| c |
10.8177 ± 0.001 Å |
| α |
92.328 ± 0.008° |
| β |
96.772 ± 0.011° |
| γ |
99.011 ± 0.011° |
| Cell volume |
664.31 ± 0.12 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 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 |
0.081 |
| Residual factor for significantly intense reflections |
0.042 |
| Weighted residual factors for all reflections |
0.115 |
| Weighted residual factors for significantly intense reflections |
0.096 |
| Goodness-of-fit parameter for all reflections |
1.019 |
| Goodness-of-fit parameter for significantly intense reflections |
1.047 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2007096.html
