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Information card for entry 4105911
Preview
Coordinates | 4105911.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | AG04-186H |
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Chemical name | toste30 |
Formula | C22 H25 N O4 S |
Calculated formula | C22 H25 N O4 S |
SMILES | C1[C@H]([C@@H](C(=O)N1S(=O)(=O)c1ccc(cc1)C)[C@@H](c1ccccc1)O)C=C(C)C |
Title of publication | Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines |
Authors of publication | Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 5500 - 5507 |
a | 10.4997 ± 0.0008 Å |
b | 8.3483 ± 0.0006 Å |
c | 11.8012 ± 0.0007 Å |
α | 90° |
β | 91.036 ± 0.005° |
γ | 90° |
Cell volume | 1034.26 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0763 |
Residual factor for significantly intense reflections | 0.0624 |
Weighted residual factors for significantly intense reflections | 0.1567 |
Weighted residual factors for all reflections included in the refinement | 0.1679 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4105911.html
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