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Information card for entry 4106754
Preview
Coordinates | 4106754.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 07152a |
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Formula | C16 H14 Br N O4 |
Calculated formula | C16 H14 Br N O4 |
SMILES | BrC1=C[C@@H]2O[C@H]1CC(=O)[C@@H]2N1C(=O)OC[C@H]1c1ccccc1 |
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 | 11.6952 ± 0.001 Å |
b | 5.5834 ± 0.0005 Å |
c | 11.8252 ± 0.0011 Å |
α | 90° |
β | 111.848 ± 0.001° |
γ | 90° |
Cell volume | 716.71 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0257 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0538 |
Weighted residual factors for all reflections included in the refinement | 0.0547 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106754.html
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