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Information card for entry 4108956
Preview
Coordinates | 4108956.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H25 N O3 S |
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Calculated formula | C19 H25 N O3 S |
SMILES | S(c1c(ccc(c1)OC)N[C@H]([C@H]1C=CC(=O)O1)C1CCCCC1)C |
Title of publication | Three-Component Ag-Catalyzed Enantioselective Vinylogous Mannich and Aza-Diels-Alder Reactions with Alkyl-Substituted Aldehydes |
Authors of publication | Hiroki Mandai; Kyoko Mandai; Marc L. Snapper; Amir H. Hoveyda |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 17961 - 17969 |
a | 7.147 ± 0.0008 Å |
b | 8.8352 ± 0.001 Å |
c | 27.978 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1766.7 ± 0.3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0372 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections included in the refinement | 0.0903 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/4108956.html
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Users of the data should acknowledge the original authors of the
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