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Information card for entry 1564314
Preview
| Coordinates | 1564314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 O4 S |
|---|---|
| Calculated formula | C20 H20 O4 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)C1=C(c2ccccc2)C(=O)OC(C1)(C)C |
| Title of publication | Solvent-controlled photocatalytic divergent cyclization of alkynyl aldehydes: access to cyclopentenones and dihydropyranols |
| Authors of publication | Zhu, Haiqian; Zheng, Hanliang; Zhang, Junhua; Feng, Jian; Kong, Lichun; Zhang, Fang; Xue, Xiao-Song; Zhu, Gangguo |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 10.8083 ± 0.0004 Å |
| b | 11.6866 ± 0.0006 Å |
| c | 14.3467 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1812.16 ± 0.14 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267888 (current) | 2021-08-02 | cif/ Adding structures of 1564313, 1564314 via cif-deposit CGI script. |
1564314.cif |
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