Information card for entry 1547731
Formula |
C117 H24 S6 |
Calculated formula |
C117 H24 S6 |
Title of publication |
Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials |
Authors of publication |
Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori |
Journal of publication |
Chem. Sci. |
Year of publication |
2017 |
a |
13.7708 ± 0.0011 Å |
b |
16.9234 ± 0.0014 Å |
c |
17.1467 ± 0.0014 Å |
α |
98.334 ± 0.001° |
β |
113.332 ± 0.001° |
γ |
112.891 ± 0.001° |
Cell volume |
3162.1 ± 0.4 Å3 |
Cell temperature |
90 K |
Ambient diffraction temperature |
90 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0424 |
Residual factor for significantly intense reflections |
0.0381 |
Weighted residual factors for significantly intense reflections |
0.0927 |
Weighted residual factors for all reflections included in the refinement |
0.0958 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.014 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/1547731.html