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Information card for entry 4104727
Preview
Coordinates | 4104727.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H15 N O |
---|---|
Calculated formula | C13 H15 N O |
SMILES | N1(C(=O)[C@@](c2ccccc12)(C(=C)C)C)C |
Title of publication | Palladium-Catalyzed Enantioselective α-Arylation and α-Vinylation of Oxindoles Facilitated by an Axially Chiral P-Stereogenic Ligand |
Authors of publication | Alexander M. Taylor; Ryan A. Altman; Stephen L. Buchwald |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 9900 - 9901 |
a | 7.3945 ± 0.0003 Å |
b | 17.416 ± 0.0006 Å |
c | 8.8582 ± 0.0003 Å |
α | 90° |
β | 90.934 ± 0.001° |
γ | 90° |
Cell volume | 1140.63 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0307 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0848 |
Weighted residual factors for all reflections included in the refinement | 0.0848 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/4104727.html
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Users of the data should acknowledge the original authors of the
structural data.