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Information card for entry 1553040
Preview
| Coordinates | 1553040.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H31 N O6 S |
|---|---|
| Calculated formula | C27 H31 N O6 S |
| Title of publication | Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes |
| Authors of publication | Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | 221 |
| a | 18.2388 ± 0.0011 Å |
| b | 14.6418 ± 0.0008 Å |
| c | 20.7375 ± 0.0012 Å |
| α | 90° |
| β | 90.251 ± 0.002° |
| γ | 90° |
| Cell volume | 5537.9 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2011 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232992 (current) | 2019-11-23 | cif/ Adding structures of 1553040, 1553041 via cif-deposit CGI script. |
1553040.cif |
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Users of the data should acknowledge the original authors of the
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