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Information card for entry 1544066
Preview
| Coordinates | 1544066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 Br N O4 |
|---|---|
| Calculated formula | C19 H23 Br N O4 |
| SMILES | Brc1cc([C@H](Nc2ccccc2)[C@@](OC)(C(=O)OC)C)ccc1OC |
| Title of publication | A Disulfonimide Catalyst for Highly Enantioselective Mukaiyama-Mannich Reaction. |
| Authors of publication | Zhou, Fengtao; Yamamoto, Hisashi |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 19 |
| Pages of publication | 4974 - 4977 |
| a | 8.5367 ± 0.0009 Å |
| b | 15.0339 ± 0.0016 Å |
| c | 14.7258 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1889.9 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.0371 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187975 (current) | 2016-11-06 | cif/ Updating files of 1544066 Original log message: Adding full bibliography for 1544066.cif. |
1544066.cif |
| 186513 | 2016-09-11 | cif/ Adding structures of 1544066 via cif-deposit CGI script. |
1544066.cif |
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