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Information card for entry 7125543
Preview
| Coordinates | 7125543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 Br O2 |
|---|---|
| Calculated formula | C19 H17 Br O2 |
| Title of publication | Mechanistic switch leading to highly efficient chirality transfer in Pd(0)-catalyzed coupling-cyclization of aryl iodides with 1:1 acid-base salts of 2,3-allenoic acids and L-(-)-cinchonidine or D-(+)-/L-(-)-alpha-methylbenzylamine. Enantioselective synthesis of highly optically active 3-aryl polysubstituted butenolides. |
| Authors of publication | Ma, Shengming; Shi, Zhangjie |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2002 |
| Journal issue | 5 |
| Pages of publication | 540 - 541 |
| a | 5.7446 ± 0.0016 Å |
| b | 8.535 ± 0.0012 Å |
| c | 16.9094 ± 0.0019 Å |
| α | 90° |
| β | 95.02 ± 0.02° |
| γ | 90° |
| Cell volume | 825.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1058 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244000 (current) | 2019-11-28 | cif/ Adding structures of 7125542, 7125543 via cif-deposit CGI script. |
7125543.cif |
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