Information card for entry 1553766
Formula |
C18 H17 N S3 |
Calculated formula |
C18 H17 N S3 |
Title of publication |
Radical cation and dication of a 4H-dithieno[2,3-b:3′,2′-e][1,4]-thiazine |
Authors of publication |
Schneeweis, Arno; Neidlinger, Andreas; Reiss, Guido J.; Frank, Walter; Heinze, Katja; Müller, Thomas J. J. |
Journal of publication |
Organic Chemistry Frontiers |
Year of publication |
2017 |
Journal volume |
4 |
Journal issue |
5 |
Pages of publication |
839 |
a |
12.112 ± 0.003 Å |
b |
13.064 ± 0.003 Å |
c |
13.586 ± 0.003 Å |
α |
113.51 ± 0.02° |
β |
114.37 ± 0.02° |
γ |
96.715 ± 0.018° |
Cell volume |
1690.6 ± 0.9 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 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 |
0.0962 |
Residual factor for significantly intense reflections |
0.0668 |
Weighted residual factors for significantly intense reflections |
0.1361 |
Weighted residual factors for all reflections included in the refinement |
0.1532 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.198 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/1553766.html