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Information card for entry 1555645
Preview
Coordinates | 1555645.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H29 N O2 |
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Calculated formula | C28 H29 N O2 |
SMILES | N1(OC(=C([C@@H]1c1ccccc1)C(=O)C)Cc1ccccc1)Cc1c(cc(cc1C)C)C |
Title of publication | Asymmetric Construction of 2,3-Dihydroisoxazoles via an Organocatalytic Formal [3 + 2] Cycloaddition of Enynes with N-Hydroxylamines. |
Authors of publication | Li, Wenbo; Yu, Xiuzhao; Yue, Zhenting; Zhang, Junliang |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 16 |
Pages of publication | 3972 - 3975 |
a | 5.0975 ± 0.0001 Å |
b | 10.807 ± 0.0001 Å |
c | 40.2707 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2218.46 ± 0.05 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0308 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0782 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/1555645.html
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Users of the data should acknowledge the original authors of the
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