Information card for entry 1502229
| Formula |
C19 H27 N O2 S Si |
| Calculated formula |
C19 H27 N O2 S Si |
| SMILES |
S(=O)(=O)(N1C(=C[Si](C)(C)C)C(=CCC1)C(=C)C)c1ccc(cc1)C |
| Title of publication |
Silver-catalyzed cycloisomerization of 1,n-allenynamides. |
| Authors of publication |
Garcia, Pierre; Harrak, Youssef; Diab, Lisa; Cordier, Pierre; Ollivier, Cyril; Gandon, Vincent; Malacria, Max; Fensterbank, Louis; Aubert, Corinne |
| Journal of publication |
Organic letters |
| Year of publication |
2011 |
| Journal volume |
13 |
| Journal issue |
11 |
| Pages of publication |
2952 - 2955 |
| a |
11.2195 ± 0.0009 Å |
| b |
12.8091 ± 0.0007 Å |
| c |
13.7031 ± 0.0012 Å |
| α |
92.225 ± 0.006° |
| β |
91.911 ± 0.007° |
| γ |
92.52 ± 0.005° |
| Cell volume |
1964.7 ± 0.3 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0931 |
| Residual factor for significantly intense reflections |
0.0495 |
| Weighted residual factors for significantly intense reflections |
0.1183 |
| Weighted residual factors for all reflections included in the refinement |
0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.042 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1502229.html
