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Information card for entry 7117401
Preview
| Coordinates | 7117401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H23 N O7 S |
|---|---|
| Calculated formula | C18 H23 N O7 S |
| Title of publication | Construction of an all-carbon quaternary stereocenter by organocatalytic enantioselective alpha-functionalization of alpha-substituted beta-ketocarbonyls with electron deficient vinylarenes |
| Authors of publication | Shizhou Liu; Mengchao Tong; Yang Yu; Hexin Xie; Hao Li; Wei Wang |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 11221 |
| a | 9.5125 ± 0.0013 Å |
| b | 13.887 ± 0.002 Å |
| c | 14.68 ± 0.002 Å |
| α | 90° |
| β | 90.249 ± 0.003° |
| γ | 90° |
| Cell volume | 1939.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 139955 (current) | 2015-07-03 | cif/ Adding structures of 7117401 via cif-deposit CGI script. |
7117401.cif |
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Users of the data should acknowledge the original authors of the
structural data.