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Information card for entry 7120831
Preview
| Coordinates | 7120831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 N2 O6 S |
|---|---|
| Calculated formula | C24 H22 N2 O6 S |
| SMILES | S(=O)(=O)(c1ccc(N(=O)=O)cc1)N1C(=O)[C@](c2cc(OC)ccc12)(C)[C@H](C)c1ccccc1 |
| Title of publication | Diastereo- and enantioselective phase-transfer alkylation of 3-substituted oxindoles with racemic secondary alkyl halides |
| Authors of publication | Ohmatsu, Kohsuke; Furukawa, Yukino; Kiyokawa, Mari; Ooi, Takashi |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 12.8 ± 0.003 Å |
| b | 7.0766 ± 0.0013 Å |
| c | 13.621 ± 0.003 Å |
| α | 90° |
| β | 116.294 ± 0.003° |
| γ | 90° |
| Cell volume | 1106.1 ± 0.4 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.038 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0627 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202363 (current) | 2017-10-27 | cif/ Adding structures of 7120831 via cif-deposit CGI script. |
7120831.cif |
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Users of the data should acknowledge the original authors of the
structural data.