Information card for entry 7101714
Common name |
(7S,7aR)-3-Acetyl-4-benzyl-7-methyl-1,4,5,6,7,7a- hexahydropyrrolo(3,2-b)pyridin-2-one |
Formula |
C17 H20 N2 O2 |
Calculated formula |
C17 H20 N2 O2 |
SMILES |
C1C[C@@H]([C@@H]2C(=C(C(=O)N2)C(=O)C)N1Cc1ccccc1)C |
Title of publication |
Stereospecific construction of substituted piperidines. Synthesis of (-)-paroxetine and (+)-laccarin. |
Authors of publication |
Bower, John F; Riis-Johannessen, Thomas; Szeto, Peter; Whitehead, Andrew J; Gallagher, Timothy |
Journal of publication |
Chemical communications (Cambridge, England) |
Year of publication |
2007 |
Journal issue |
7 |
Pages of publication |
728 - 730 |
a |
9.6357 ± 0.0016 Å |
b |
14.869 ± 0.003 Å |
c |
10.9996 ± 0.0017 Å |
α |
90° |
β |
103.461 ± 0.005° |
γ |
90° |
Cell volume |
1532.6 ± 0.5 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 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 |
0.0722 |
Residual factor for significantly intense reflections |
0.0647 |
Weighted residual factors for significantly intense reflections |
0.1679 |
Weighted residual factors for all reflections included in the refinement |
0.1783 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7101714.html