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Information card for entry 4107849
Preview
Coordinates | 4107849.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H13 N O3 |
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Calculated formula | C16 H13 N O3 |
SMILES | c1(ccccc1)C(=O)[C@H]1[C@H](c2ccccc2)NC(=O)O1.c1(ccccc1)C(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)O1 |
Title of publication | A New Entry to Cascade Organocatalysis: Reactions of Stable Sulfur Ylides and Nitroolefins Sequentially Catalyzed by Thiourea and DMAP |
Authors of publication | Liang-Qiu Lu; Yi-Ju Cao; Xiao-Peng Liu; Jing An; Chang-Jiang Yao; Zhi-Hui Ming; Wen-Jing Xiao |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6946 - 6948 |
a | 7.8191 ± 0.0005 Å |
b | 26.6567 ± 0.0013 Å |
c | 6.3613 ± 0.0007 Å |
α | 90° |
β | 98.659 ± 0.001° |
γ | 90° |
Cell volume | 1310.78 ± 0.18 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0961 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for significantly intense reflections | 0.1347 |
Weighted residual factors for all reflections included in the refinement | 0.1511 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4107849.html
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Users of the data should acknowledge the original authors of the
structural data.