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Information card for entry 4035934
Preview
Coordinates | 4035934.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H13 N O3 |
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Calculated formula | C11 H13 N O3 |
SMILES | N(CCOC(=O)c1ccccc1)C(=O)C |
Title of publication | Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols. |
Authors of publication | Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 8 |
Pages of publication | 4715 - 4722 |
a | 13.4466 ± 0.0003 Å |
b | 9.1948 ± 0.0002 Å |
c | 17.3481 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2144.9 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0783 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4035934.html
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