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Information card for entry 1551890
Preview
| Coordinates | 1551890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H26 O2 S |
|---|---|
| Calculated formula | C33 H26 O2 S |
| SMILES | c1(ccccc1)SC[C@H](c1ccccc1)CCOC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1 |
| Title of publication | Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals |
| Authors of publication | Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre |
| Journal of publication | Nature Chemistry |
| Year of publication | 2017 |
| Journal volume | 9 |
| Pages of publication | 868 - 873 |
| a | 29.4752 ± 0.0019 Å |
| b | 8.8183 ± 0.0006 Å |
| c | 37.823 ± 0.002 Å |
| α | 90° |
| β | 97.4465 ± 0.0018° |
| γ | 90° |
| Cell volume | 9748.1 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.11 |
| Residual factor for significantly intense reflections | 0.0862 |
| Weighted residual factors for significantly intense reflections | 0.1829 |
| Weighted residual factors for all reflections included in the refinement | 0.1935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216532 (current) | 2019-06-25 | cif/ Adding structures of 1551890 via cif-deposit CGI script. |
1551890.cif |
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