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Information card for entry 7152612
Preview
Coordinates | 7152612.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H15 N O3 |
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Calculated formula | C19 H15 N O3 |
SMILES | O1[C@@]2(c3c(N(C2=O)C)cccc3)CC(=O)C\1=C\c1ccccc1 |
Title of publication | Phosphine-catalyzed domino reaction: an efficient method for the synthesis of highly functionalized spirooxazolines. |
Authors of publication | Yang, Lihua; Xie, Peizhong; Li, Erqing; Li, Xin; Huang, You; Chen, Ruyu |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2012 |
Journal volume | 10 |
Journal issue | 37 |
Pages of publication | 7628 - 7634 |
a | 5.551 ± 0.003 Å |
b | 11.084 ± 0.006 Å |
c | 24.666 ± 0.014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1517.6 ± 1.4 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 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 | 0.0602 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.0872 |
Weighted residual factors for all reflections included in the refinement | 0.0927 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/7152612.html
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Users of the data should acknowledge the original authors of the
structural data.