Information card for entry 2007138
| Chemical name |
1,5,8,12-Tetrathiaspiro[6.6]tridecane |
| Formula |
C9 H16 S4 |
| Calculated formula |
C9 H16 S4 |
| SMILES |
S1CCCSCC21SCCCSC2 |
| Title of publication |
1,5,8,12-Tetrathiaspiro[6.6]tridecane |
| Authors of publication |
Barrot, Mireia; Fabrias, Gemma; Camps, Francisco; Molins, Elies; Roig, Anna; Maniukiewicz, Waldemar |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1998 |
| Journal volume |
54 |
| Journal issue |
4 |
| Pages of publication |
533 - 534 |
| a |
10.446 ± 0.001 Å |
| b |
11.045 ± 0.001 Å |
| c |
11.316 ± 0.001 Å |
| α |
64.24 ± 0.01° |
| β |
79.2 ± 0.01° |
| γ |
85.35 ± 0.01° |
| Cell volume |
1155 ± 0.2 Å3 |
| Cell temperature |
294 ± 2 K |
| Ambient diffraction temperature |
294 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0355 |
| Residual factor for significantly intense reflections |
0.0294 |
| Weighted residual factors for all reflections included in the refinement |
0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.122 |
| 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/2007138.html
