Information card for entry 7227998
| Common name |
S-ThiaDianin's Compound 0.33 IPA solvate, Type III cell |
| Chemical name |
4-p-hydroxyphenyl-2,2,4-trimethylthiachroman 0.33 IPA solvate |
| Formula |
C19 H22.67 O1.33 S |
| Calculated formula |
C19 H22.6667 O1.33333 S |
| Title of publication |
An unprecedented Dianin clathrate structure with Z ′ (host) = 16 |
| Authors of publication |
Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal |
| Journal of publication |
CrystEngComm |
| Year of publication |
2017 |
| a |
111.791 ± 0.0004 Å |
| b |
111.791 ± 0.0004 Å |
| c |
10.8568 ± 0.0001 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
117502 ± 1.2 Å3 |
| Cell temperature |
90 ± 1 K |
| Ambient diffraction temperature |
90 ± 1 K |
| Number of distinct elements |
4 |
| Space group number |
148 |
| Hermann-Mauguin space group symbol |
R -3 :H |
| Hall space group symbol |
-R 3 |
| Residual factor for all reflections |
0.0652 |
| Residual factor for significantly intense reflections |
0.0608 |
| Weighted residual factors for significantly intense reflections |
0.1736 |
| Weighted residual factors for all reflections included in the refinement |
0.1775 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7227998.html
