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Information card for entry 4027839
Preview
Coordinates | 4027839.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H25 F3 N2 O5 S2 |
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Calculated formula | C19 H25 F3 N2 O5 S2 |
SMILES | c1(c(nc(c2ccccc2)o1)OS(=O)(=O)C(F)(F)F)[C@@H](C(C)(C)C)NS(C(C)(C)C)=O |
Title of publication | Stereoselective Addition of 2-Phenyloxazol-4-yl Trifluoromethanesulfonate to N-Sulfinyl Imines: Application to the Synthesis of the HCV Protease Inhibitor Boceprevir |
Authors of publication | William J. Morris; Kiran K. Muppalla; Cameron Cowden; Richard G. Ball |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 706 - 710 |
a | 8.6963 ± 0.0002 Å |
b | 10.4629 ± 0.0003 Å |
c | 25.1241 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2286 ± 0.11 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027839.html
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