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Information card for entry 1555533
Preview
| Coordinates | 1555533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H20 O2 S2 |
|---|---|
| Calculated formula | C20 H20 O2 S2 |
| SMILES | S1C2(SCCC1)OC(C(=C2)c1ccccc1)c1ccc(cc1)OC |
| Title of publication | Dithiane Induced Cycloaddition/Aromatization Tactic for the Synthesis of Multisubstituted Furans. |
| Authors of publication | Lai, Junshan; Liang, Yongping; Liu, Teng; Tang, Shouchu |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 2066 - 2069 |
| a | 10.3493 ± 0.0005 Å |
| b | 16.6118 ± 0.0005 Å |
| c | 11.4274 ± 0.0006 Å |
| α | 90° |
| β | 116.111 ± 0.006° |
| γ | 90° |
| Cell volume | 1764.1 ± 0.16 Å3 |
| Cell temperature | 293.18 ± 0.1 K |
| Ambient diffraction temperature | 293.18 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.0691 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555533.cif |
| 238862 | 2019-11-24 | cif/ Adding structures of 1555533 via cif-deposit CGI script. |
1555533.cif |
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Users of the data should acknowledge the original authors of the
structural data.