Information card for entry 7122578
| Formula |
C16 H16 O5 S |
| Calculated formula |
C16 H16 O5 S |
| Title of publication |
Acid-catalyzed synthesis of functionalized arylthio cyclopropane carbaldehydes and ketones. |
| Authors of publication |
Porcu, Stefania; Luridiana, Alberto; Martis, Alberto; Frongia, Angelo; Sarais, Giorgia; Aitken, David J.; Boddaert, Thomas; Guillot, Regis; Secci, Francesco |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
96 |
| Pages of publication |
13547 - 13550 |
| a |
8.157 ± 0.0005 Å |
| b |
9.8595 ± 0.0007 Å |
| c |
10.2239 ± 0.0008 Å |
| α |
63.734 ± 0.003° |
| β |
75.835 ± 0.002° |
| γ |
85.625 ± 0.002° |
| Cell volume |
714.44 ± 0.09 Å3 |
| Cell temperature |
100 ± 1 K |
| Ambient diffraction temperature |
100 ± 1 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 |
0.0737 |
| Residual factor for significantly intense reflections |
0.0481 |
| Weighted residual factors for significantly intense reflections |
0.1027 |
| Weighted residual factors for all reflections included in the refinement |
0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
| Diffraction radiation probe |
x-ray |
| 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/7122578.html
