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Information card for entry 4106753
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Coordinates | 4106753.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 07134a |
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Formula | C19 H19 N O6 |
Calculated formula | C19 H19 N O6 |
SMILES | O=C1OC[C@H](N1[C@@H]1[C@H]2O[C@@H](CC1=O)C(=C2)C(=O)OCC)c1ccccc1 |
Title of publication | Stereoselectivities and Regioselectivities of (4 + 3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory |
Authors of publication | Jennifer E. Antoline; Elizabeth H. Krenske; Andrew G. Lohse; K. N. Houk; Richard P. Hsung |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 14443 - 14451 |
a | 12.4116 ± 0.0019 Å |
b | 5.4173 ± 0.0008 Å |
c | 13.535 ± 0.002 Å |
α | 90° |
β | 112.088 ± 0.002° |
γ | 90° |
Cell volume | 843.3 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0454 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.0733 |
Weighted residual factors for all reflections included in the refinement | 0.0772 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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