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Information card for entry 7128940
Preview
Coordinates | 7128940.cif |
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Original paper (by DOI) | HTML |
Chemical name | 3-([1,1'-biphenyl]-2-yl)-4-methyl-2-(phenylthio)quinoline |
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Formula | C28 H21 N S |
Calculated formula | C28 H21 N S |
Title of publication | Catalytic atroposelective dynamic kinetic resolutions and kinetic resolutions towards 3-arylquinolines <i>via</i> S<sub>N</sub>Ar. |
Authors of publication | Cardenas, Mariel M.; Saputra, Mirza A.; Gordon, Deane A.; Sanchez, Andrea N.; Yamamoto, Nobuyuki; Gustafson, Jeffrey L. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2021 |
Journal volume | 57 |
Journal issue | 78 |
Pages of publication | 10087 - 10090 |
a | 10.0555 ± 0.0004 Å |
b | 11.6803 ± 0.0005 Å |
c | 18.1925 ± 0.0007 Å |
α | 90° |
β | 100.954 ± 0.0018° |
γ | 90° |
Cell volume | 2097.8 ± 0.15 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0381 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.0922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
269601 (current) | 2021-10-06 | cif/ Updating files of 7128940, 7128941 Original log message: Adding full bibliography for 7128940--7128941.cif. |
7128940.cif |
268976 | 2021-09-07 | cif/ Adding structures of 7128940, 7128941 via cif-deposit CGI script. |
7128940.cif |
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Users of the data should acknowledge the original authors of the
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