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Information card for entry 1553076
Preview
| Coordinates | 1553076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | QM-1 |
|---|---|
| Formula | C15 H13 N O5 S |
| Calculated formula | C15 H13 N O5 S |
| Title of publication | Pd(ii)-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimine esters and a DFT study of its mechanism |
| Authors of publication | Quan, Mao; Yang, Guoqiang; Xie, Fang; Gridnev, Ilya D.; Zhang, Wanbin |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 4 |
| Pages of publication | 398 |
| a | 10.3879 ± 0.0015 Å |
| b | 10.3879 ± 0.0015 Å |
| c | 24.218 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2263.2 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233025 (current) | 2019-11-23 | cif/ Adding structures of 1553076 via cif-deposit CGI script. |
1553076.cif |
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