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Information card for entry 4101906
Preview
Coordinates | 4101906.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H15 N O4 S |
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Calculated formula | C12 H15 N O4 S |
SMILES | C1C[C@@H]2[C@@H](C[C@H](c3ccccc3)O2)NS(=O)(=O)O1.C1C[C@H]2[C@H](C[C@@H](c3ccccc3)O2)NS(=O)(=O)O1 |
Title of publication | Rhodium Catalyzed Allene Amination: Diastereoselective Synthesis of Aminocyclopropanes via a 2-Amidoallylcation Intermediate |
Authors of publication | Armin H. Stoll; Simon B. Blakey |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 2108 - 2109 |
a | 19.0493 ± 0.0007 Å |
b | 11.8023 ± 0.0004 Å |
c | 10.8159 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2431.69 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0224 |
Residual factor for significantly intense reflections | 0.022 |
Weighted residual factors for significantly intense reflections | 0.056 |
Weighted residual factors for all reflections included in the refinement | 0.0563 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4101906.html
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