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Information card for entry 4105326
Preview
Coordinates | 4105326.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H15 N O |
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Calculated formula | C9 H15 N O |
SMILES | O=C1N[C@@H]2[C@@H]([C@H]1C)CCCC2 |
Title of publication | Enantioselective Intramolecular Michael Addition of Nitronates onto Conjugated Esters: Access to Cyclic γ-Amino Acids with up to Three Stereocenters |
Authors of publication | William J. Nodes; David R. Nutt; Ann M. Chippindale; Alexander J. A. Cobb |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 16016 - 16017 |
a | 5.3337 ± 0.0003 Å |
b | 8.4781 ± 0.0005 Å |
c | 10.0357 ± 0.0006 Å |
α | 90° |
β | 99.05 ± 0.006° |
γ | 90° |
Cell volume | 448.16 ± 0.05 Å3 |
Cell temperature | 295 ± 1 K |
Ambient diffraction temperature | 295 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 | 0.0341 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for all reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0376 |
Weighted residual factors for all reflections included in the refinement | 0.0376 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.5418 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/4105326.html
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Users of the data should acknowledge the original authors of the
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