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Information card for entry 1556187
Preview
| Coordinates | 1556187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H26 F N O4 S2 |
|---|---|
| Calculated formula | C34 H26 F N O4 S2 |
| SMILES | S(=O)(=O)(C(S(=O)(=O)c1ccccc1)(F)[C@@H](c1c([nH]c2c1cccc2)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Highly enantioselective monofluoromethylation of C2-arylindoles using FBSM under chiral phase-transfer catalysis. |
| Authors of publication | Matsuzaki, Kohei; Furukawa, Tatsuya; Tokunaga, Etsuko; Matsumoto, Takashi; Shiro, Motoo; Shibata, Norio |
| Journal of publication | Organic letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 13 |
| Pages of publication | 3282 - 3285 |
| a | 9.5437 ± 0.0016 Å |
| b | 15.151 ± 0.003 Å |
| c | 10.6193 ± 0.0019 Å |
| α | 90° |
| β | 111.641 ± 0.008° |
| γ | 90° |
| Cell volume | 1427.3 ± 0.5 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243541 (current) | 2019-11-26 | cif/ Adding structures of 1556187 via cif-deposit CGI script. |
1556187.cif |
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