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Information card for entry 4027556
Preview
Coordinates | 4027556.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H12 Cl3 N O3 |
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Calculated formula | C11 H12 Cl3 N O3 |
SMILES | c1(ccccc1)C(CNC(=O)OCC(Cl)(Cl)Cl)O |
Title of publication | Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates |
Authors of publication | Masruri; Anthony C. Willis; Malcolm D. McLeod |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 8480 - 8491 |
a | 10.5574 ± 0.0001 Å |
b | 11.1904 ± 0.0002 Å |
c | 12.0818 ± 0.0002 Å |
α | 90° |
β | 104.971 ± 0.0009° |
γ | 90° |
Cell volume | 1378.91 ± 0.04 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0341 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for all reflections | 0.0801 |
Weighted residual factors for significantly intense reflections | 0.0783 |
Weighted residual factors for all reflections included in the refinement | 0.0801 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0021 |
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/4027556.html
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