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Information card for entry 1545164
Preview
| Coordinates | 1545164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 O5 |
|---|---|
| Calculated formula | C19 H20 O5 |
| SMILES | Oc1cc2c(O[C@@]3([C@@H](Oc4c3cc(O)c(C)c4)[C@H]2C)CO)cc1C |
| Title of publication | Catalytic Asymmetric Total Synthesis of (+)- and (−)-Paeoveitol via a Hetero-Diels‒Alder Reaction |
| Authors of publication | Li, Tian-Ze; Geng, Chang-An; Yin, Xiu-Juan; Yang, Tong-Hua; Chen, Xing-Long; Huang, Xiao-Yan; Ma, Yun-Bao; Zhang, Xue-Mei; Chen, Ji-Jun |
| Journal of publication | Organic Letters |
| Year of publication | 2017 |
| a | 18.9838 ± 0.0007 Å |
| b | 9.0762 ± 0.0003 Å |
| c | 9.3006 ± 0.0003 Å |
| α | 90° |
| β | 97.114 ± 0.002° |
| γ | 90° |
| Cell volume | 1590.16 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1481 |
| Residual factor for significantly intense reflections | 0.1469 |
| Weighted residual factors for significantly intense reflections | 0.3267 |
| Weighted residual factors for all reflections included in the refinement | 0.3289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.582 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190992 (current) | 2017-01-27 | cif/ Adding structures of 1545164 via cif-deposit CGI script. |
1545164.cif |
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Users of the data should acknowledge the original authors of the
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