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Information card for entry 1547726
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Coordinates | 1547726.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H24 N O4 |
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Calculated formula | C18 H29 N O4 |
SMILES | O=C([O-])C(=O)O.[NH2+](c1ccccc1)[C@H]([C@H](CCCCCC)C)C.O=C([O-])C(=O)O.[NH2+](c1ccccc1)[C@@H]([C@@H](CCCCCC)C)C |
Title of publication | In Situ Generation of a Regio- and Diastereoselective Hydroaminoalkylation Catalyst Using Commercially Available Starting Materials. |
Authors of publication | Edwards, Peter M.; Schafer, Laurel L. |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 21 |
Pages of publication | 5720 - 5723 |
a | 10.0478 ± 0.0018 Å |
b | 10.1851 ± 0.0017 Å |
c | 10.8815 ± 0.0019 Å |
α | 95.641 ± 0.004° |
β | 114.147 ± 0.004° |
γ | 108.576 ± 0.004° |
Cell volume | 929 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1297 |
Residual factor for significantly intense reflections | 0.0911 |
Weighted residual factors for significantly intense reflections | 0.2214 |
Weighted residual factors for all reflections included in the refinement | 0.2484 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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