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Information card for entry 7126964
Preview
| Coordinates | 7126964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H19 F3 O7 S |
|---|---|
| Calculated formula | C19 H19 F3 O7 S |
| SMILES | S(=O)(=O)(O[C@@H]1[C@]23C=C(c4cc(OC)ccc4OC)C[C@@]2(CC1)C(=O)OC3)C(F)(F)F.S(=O)(=O)(O[C@H]1[C@@]23C=C(c4cc(OC)ccc4OC)C[C@]2(CC1)C(=O)OC3)C(F)(F)F |
| Title of publication | Collective enantioselective total synthesis of (+)-sinensilactam A, (+)-lingzhilactone B and (-)-lingzhiol: divergent reactivity of styrene. |
| Authors of publication | Zhang, Da-Wei; Fan, Hui-Lan; Zhang, Wenzhao; Li, Cheng-Ji; Luo, Sanzhong; Qin, Hong-Bo |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 69 |
| Pages of publication | 10066 - 10069 |
| a | 11.1889 ± 0.0012 Å |
| b | 15.6583 ± 0.0016 Å |
| c | 11.3387 ± 0.0012 Å |
| α | 90° |
| β | 103.564 ± 0.002° |
| γ | 90° |
| Cell volume | 1931.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0498 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7126964.cif |
| 255963 | 2020-09-06 | cif/ Updating files of 7126964, 7126965 Original log message: Adding full bibliography for 7126964--7126965.cif. |
7126964.cif |
| 254528 | 2020-07-24 | cif/ Adding structures of 7126964, 7126965 via cif-deposit CGI script. |
7126964.cif |
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