Information card for entry 2015233
Common name |
[3,4-b][3',4'-l]-dithieno-1,4,11,14-tetraoxacycloeicosane |
Chemical name |
1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa- 9,12,21,24-tetraene |
Formula |
C20 H28 O4 S2 |
Calculated formula |
C20 H28 O4 S2 |
SMILES |
C1CCCOc2cscc2OCCCCCCOc2c(OCC1)csc2 |
Title of publication |
1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa-9,12,21,24-tetraene |
Authors of publication |
Wagner, Paweł; Łapkowski, Mieczysław; Kubicki, Maciej |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
4 |
Pages of publication |
o155 - o156 |
a |
9.595 ± 0.002 Å |
b |
8.267 ± 0.002 Å |
c |
26.35 ± 0.005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2090.1 ± 0.8 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.1014 |
Residual factor for significantly intense reflections |
0.0355 |
Weighted residual factors for significantly intense reflections |
0.0897 |
Weighted residual factors for all reflections included in the refinement |
0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.979 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2015233.html