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Information card for entry 1551401
Preview
| Coordinates | 1551401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H76 Cl12 N6 O2 P2 Sb2 Se2 |
|---|---|
| Calculated formula | C56 H60 Cl12 N6 P2 Sb2 Se2 |
| Title of publication | Mechanistic, crystallographic, and computational studies on the catalytic, enantioselective sulfenofunctionalization of alkenes |
| Authors of publication | Scott E. Denmark; Eduard Hartmann; David J. P. Kornfilt; Hao Wang |
| Journal of publication | Nature Chemistry |
| Year of publication | 2014 |
| Journal volume | 6 |
| Pages of publication | 1056 - 1064 |
| a | 12.005 ± 0.0006 Å |
| b | 12.2783 ± 0.0006 Å |
| c | 14.5779 ± 0.0007 Å |
| α | 67.081 ± 0.002° |
| β | 73.258 ± 0.002° |
| γ | 88.706 ± 0.002° |
| Cell volume | 1885.47 ± 0.16 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0315 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215931 (current) | 2019-06-13 | cif/ Adding structures of 1551401 via cif-deposit CGI script. |
1551401.cif |
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Users of the data should acknowledge the original authors of the
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