Information card for entry 7236210
| Chemical name |
Ethyl (1'S,2'S,3R)-1''-butyl-5''-methyl-2,2''-dioxo-1'-phenyl-1'',2'',5',6',7',7a'-hexahydro-1'H-dispiro[indoline-3,3'-pyrrolizine-2',3''-pyrrole]-4''-carboxylate |
| Formula |
C31 H35 N3 O4 |
| Calculated formula |
C31 H35 N3 O4 |
| Title of publication |
Three-component access to 2-pyrrolin-5-ones and their use in target-oriented and diversity-oriented synthesis |
| Authors of publication |
Cores, Ángel; Estévez, Verónica; Villacampa, Mercedes; Menéndez, J. Carlos |
| Journal of publication |
RSC Advances |
| Year of publication |
2016 |
| Journal volume |
6 |
| Journal issue |
45 |
| Pages of publication |
39433 |
| a |
9.9204 ± 0.0004 Å |
| b |
11.2869 ± 0.0004 Å |
| c |
13.6057 ± 0.0006 Å |
| α |
69.094 ± 0.003° |
| β |
76.462 ± 0.003° |
| γ |
77.265 ± 0.003° |
| Cell volume |
1367.79 ± 0.1 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 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 |
0.1601 |
| Residual factor for significantly intense reflections |
0.1261 |
| Weighted residual factors for significantly intense reflections |
0.3169 |
| Weighted residual factors for all reflections included in the refinement |
0.3544 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.957 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7236210.html
