Information card for entry 2208202
Chemical name |
(1RS,4RS)-1-Methoxyspiro[bicyclo[2.2.2]oct-5-ene-2,2'-[1',3']dithiolane] |
Formula |
C11 H16 O S2 |
Calculated formula |
C11 H16 O S2 |
SMILES |
S1C2(SCC1)[C@]1(OC)CC[C@H](C2)C=C1 |
Title of publication |
(1<i>RS</i>,4<i>RS</i>)-1-Methoxyspiro[bicyclo[2.2.2]oct-5-ene-2,2'-[1',3']dithiolane]. Corrigendum |
Authors of publication |
Gültekin, Zeynep; Adams, Harry; Hökelek, Tuncer |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
2 |
Pages of publication |
e6 - e7 |
a |
6.748 ± 0.004 Å |
b |
7.87 ± 0.004 Å |
c |
11.474 ± 0.007 Å |
α |
99.23 ± 0.04° |
β |
103 ± 0.05° |
γ |
102.69 ± 0.03° |
Cell volume |
564.9 ± 0.6 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 |
0.0787 |
Residual factor for significantly intense reflections |
0.0584 |
Weighted residual factors for significantly intense reflections |
0.1302 |
Weighted residual factors for all reflections included in the refinement |
0.144 |
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 |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2208202.html