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Information card for entry 1556033
Preview
Coordinates | 1556033.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | cis-(3R,4R)-4-hydroxy-3-phenyl-1,1-dioxo- 2H-1,2-benzothiazinane |
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Formula | C14 H12 N O3 S |
Calculated formula | C14 H12 N O3 S |
Title of publication | Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation. |
Authors of publication | Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 8 |
Pages of publication | 2042 - 2045 |
a | 9.4952 ± 0.0003 Å |
b | 13.78766 ± 0.00017 Å |
c | 23.3234 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3053.42 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0423 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.1083 |
Weighted residual factors for all reflections included in the refinement | 0.1107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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