Information card for entry 2242430
Chemical name |
Tris[2,2,6,6-tetramethyl-8-(trimethylsilyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']bis(1,3-dithiol)-4-yl]methanol diethyl ether monosolvate |
Formula |
C46 H64 O S12 Si3 |
Calculated formula |
C46 H64 O S12 Si3 |
Title of publication |
Tris[2,2,6,6-tetramethyl-8-(trimethylsilyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']bis(1,3-dithiol)-4-yl]methanol diethyl ether monosolvate |
Authors of publication |
Fleck, Nico; Schnakenburg, Gregor; Filippou, Alexander C.; Schiemann, Olav |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2018 |
Journal volume |
74 |
Journal issue |
4 |
Pages of publication |
539 - 542 |
a |
14.9964 ± 0.0004 Å |
b |
15.107 ± 0.0004 Å |
c |
16.0026 ± 0.0004 Å |
α |
91.6815 ± 0.0013° |
β |
117.608 ± 0.0011° |
γ |
99.1383 ± 0.0012° |
Cell volume |
3149.79 ± 0.15 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.072 |
Residual factor for significantly intense reflections |
0.0641 |
Weighted residual factors for significantly intense reflections |
0.1726 |
Weighted residual factors for all reflections included in the refinement |
0.1833 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2242430.html