Information card for entry 4131365
| Common name |
71462-058 |
| Chemical name |
gene765 |
| Formula |
C24 H24 O3 S |
| Calculated formula |
C24 H24 O3 S |
| SMILES |
c1(ccc(cc1)C)S(=O)(=O)OC(=C(CC)\c1ccccc1C)\c1ccccc1 |
| Title of publication |
Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling. |
| Authors of publication |
Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2017 |
| Journal volume |
139 |
| Journal issue |
31 |
| Pages of publication |
10777 - 10783 |
| a |
10.3876 ± 0.0011 Å |
| b |
11.2894 ± 0.0012 Å |
| c |
11.3219 ± 0.0012 Å |
| α |
106.35 ± 0.002° |
| β |
105.817 ± 0.002° |
| γ |
114.671 ± 0.002° |
| Cell volume |
1035.43 ± 0.19 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 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 |
0.0518 |
| Residual factor for significantly intense reflections |
0.0426 |
| Weighted residual factors for significantly intense reflections |
0.1114 |
| Weighted residual factors for all reflections included in the refinement |
0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
| 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/4131365.html
