Information card for entry 2103570
Chemical name |
2,3,7,8-tetrahydro-benzo[1,2-b:4,5-b']bis[1,4]dithiin-5,10-dione |
Formula |
C10 H8 O2 S4 |
Calculated formula |
C10 H8 O2 S4 |
Title of publication |
Structures of tetrathiabenzoquinone derivatives and the order‒disorder phase transition |
Authors of publication |
Matsumoto, Shinya; Mizuguchi, Jin |
Journal of publication |
Acta Crystallographica Section B |
Year of publication |
2001 |
Journal volume |
57 |
Journal issue |
1 |
Pages of publication |
82 - 87 |
a |
9.441 ± 0.002 Å |
b |
16.583 ± 0.002 Å |
c |
7.184 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1124.7 ± 0.5 Å3 |
Cell temperature |
296.2 K |
Ambient diffraction temperature |
296.2 K |
Number of distinct elements |
4 |
Space group number |
72 |
Hermann-Mauguin space group symbol |
I b a m |
Hall space group symbol |
-I 2 2c |
Residual factor for all reflections |
0.0293 |
Residual factor for significantly intense reflections |
0.0293 |
Weighted residual factors for all reflections |
0.0501 |
Weighted residual factors for all reflections included in the refinement |
0.0501 |
Goodness-of-fit parameter for all reflections |
1 |
Goodness-of-fit parameter for all reflections included in the refinement |
1 |
Diffraction radiation wavelength |
0.7107 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2103570.html