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Information card for entry 7108908
Preview
| Coordinates | 7108908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H32 N O6 S |
|---|---|
| Calculated formula | C32 H32 N O6 S |
| Title of publication | Phosphine-catalyzed [3+2] annulation of α-substituted allenoates with ester-activated α,β-unsaturated imines: a novel variation of the Lu [3+2] cycloaddition reaction |
| Authors of publication | Tian, Junjun; He, Zhengjie |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 20 |
| Pages of publication | 2058 - 2060 |
| a | 9.2454 ± 0.0018 Å |
| b | 12.053 ± 0.002 Å |
| c | 14.31 ± 0.003 Å |
| α | 69.9 ± 0.03° |
| β | 86.02 ± 0.03° |
| γ | 87.63 ± 0.03° |
| Cell volume | 1493.6 ± 0.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0998 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1345 |
| Weighted residual factors for all reflections included in the refinement | 0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.