Information card for entry 4022474
Chemical name |
4aR,6R,7R-2-Oxo-7-phenyl-1-(R)-(1-phenyl-ethyl)- 1,2,3,4,4a,5,6,7-octahydro-quinoline-6-carboxylic acid S-(1-phenyl-ethyl)-amide |
Formula |
C32 H34 N2 O2 |
Calculated formula |
C32 H34 N2 O2 |
SMILES |
O=C(N[C@@H](C)c1ccccc1)[C@@H]1C[C@H]2CCC(=O)N(C2=C[C@H]1c1ccccc1)[C@H](C)c1ccccc1 |
Title of publication |
Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives |
Authors of publication |
Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi |
Journal of publication |
Journal of Organic Chemistry |
Year of publication |
2003 |
Journal volume |
68 |
Pages of publication |
6360 - 6368 |
a |
10.191 ± 0.001 Å |
b |
13.857 ± 0.002 Å |
c |
10.568 ± 0.001 Å |
α |
90 ± 0.01° |
β |
114.6 ± 0.01° |
γ |
90 ± 0.02° |
Cell volume |
1356.9 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0569 |
Residual factor for significantly intense reflections |
0.0547 |
Weighted residual factors for significantly intense reflections |
0.1581 |
Weighted residual factors for all reflections included in the refinement |
0.1629 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.705 |
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/4022474.html