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Information card for entry 7127795
Preview
| Coordinates | 7127795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (3aR,8bR)-3a-phenyl-3,3a,5,8b-tetrahydro-1H-furo[3,2-d]thieno[3,4-b]pyran |
|---|---|
| Formula | C15 H14 O2 S |
| Calculated formula | C15 H14 O2 S |
| Title of publication | Enantioselective H-bond-directed vinylogous iminium ion strategy for the functionalization of vinyl-substituted heteroaryl aldehydes. |
| Authors of publication | Skrzyńska, Anna; Frankowski, Sebastian; Topolska, Aleksandra; Dyguda, Mateusz; Gao, Xin-Yue; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 13 |
| Pages of publication | 1667 - 1670 |
| a | 7.3707 ± 0.0001 Å |
| b | 10.3546 ± 0.0001 Å |
| c | 8.6086 ± 0.0001 Å |
| α | 90° |
| β | 108.874 ± 0.001° |
| γ | 90° |
| Cell volume | 621.688 ± 0.013 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0194 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.0511 |
| Weighted residual factors for all reflections included in the refinement | 0.0511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7127795.cif |
| 262489 | 2021-03-05 | cif/ Updating files of 7127795, 7127796 Original log message: Adding full bibliography for 7127795--7127796.cif. |
7127795.cif |
| 260895 | 2021-01-11 | cif/ Adding structures of 7127795, 7127796 via cif-deposit CGI script. |
7127795.cif |
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Users of the data should acknowledge the original authors of the
structural data.