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Information card for entry 4025132
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4025132.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H11 N O3 S |
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Calculated formula | C9 H11 N O3 S |
SMILES | S1(=O)(=O)OCC[C@@H](N1)c1ccccc1 |
Title of publication | Highly Efficient, Enantioselective Syntheses of (S)-(+)- and (R)-(-)-Dapoxetine Starting with 3-Phenyl-1-propanol |
Authors of publication | Soyeong Kang; Hyeon-Kyu Lee |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 237 - 240 |
a | 5.8985 ± 0.0001 Å |
b | 9.6146 ± 0.0002 Å |
c | 10.1578 ± 0.0002 Å |
α | 107.73 ± 0.001° |
β | 103.154 ± 0.001° |
γ | 107.355 ± 0.001° |
Cell volume | 490.554 ± 0.018 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0498 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4025132.html
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Users of the data should acknowledge the original authors of the
structural data.