Information card for entry 4034494
| Formula |
C12 H14 O2 S4 |
| Calculated formula |
C12 H14 O2 S4 |
| SMILES |
S1C(Sc2c1cc1SC(Sc1c2)(CO)C)(CO)C |
| Title of publication |
Synthesis of Central Chirality-Containing Triarylmethanols and Triarylmethyl Radicals with Extraordinarily Stable Configurations. |
| Authors of publication |
Li, Yingchun; Zhai, Weixiang; Liao, Yongfang; Nie, Jiangping; Han, Guifang; Song, Yuguang; Li, Shaoyong; Hou, Jingli; Liu, Yangping |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
18 |
| Pages of publication |
11774 - 11782 |
| a |
11.186 ± 0.0008 Å |
| b |
11.4071 ± 0.0001 Å |
| c |
13.4875 ± 0.0011 Å |
| α |
66.629 ± 0.013° |
| β |
86.938 ± 0.018° |
| γ |
62.124 ± 0.011° |
| Cell volume |
1377.9 ± 0.3 Å3 |
| Cell temperature |
113 ± 2 K |
| Ambient diffraction temperature |
113 ± 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 |
0.0214 |
| Residual factor for significantly intense reflections |
0.0198 |
| Weighted residual factors for significantly intense reflections |
0.0553 |
| Weighted residual factors for all reflections included in the refinement |
0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4034494.html
