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Information card for entry 4025979
Preview
Coordinates | 4025979.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H26 N2 O4 |
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Calculated formula | C19 H26 N2 O4 |
SMILES | c1(cccc(c1)[C@H]1[C@@H]2CCCCCCCCCCC2=N(=O)O1)N(=O)=O.c1(cccc(c1)[C@@H]1[C@H]2CCCCCCCCCCC2=N(=O)O1)N(=O)=O |
Title of publication | Synthesis of Isoxazoline N-Oxides via [Hydroxy(tosyloxy)iodo]benzene (HTIB)-Mediated Oxidative N-O Coupling |
Authors of publication | Mustafa J. Raihan; Veerababurao Kavala; Pateliya Mujjamil Habib; Qiao-Zhi Guan; Chun-Wei Kuo; Ching-Fa Yao |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 424 - 434 |
a | 7.5626 ± 0.0003 Å |
b | 10.9151 ± 0.0003 Å |
c | 11.7483 ± 0.0003 Å |
α | 108.667 ± 0.001° |
β | 98.922 ± 0.001° |
γ | 100.822 ± 0.001° |
Cell volume | 877.97 ± 0.05 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0671 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1653 |
Weighted residual factors for all reflections included in the refinement | 0.1785 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.599 |
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/4025979.html
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Users of the data should acknowledge the original authors of the
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