Information card for entry 7247529

Structure parameters

• Formula: C20 H20 O6 S
• Calculated formula: C20 H20 O6 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)[C@H]1C(C(=O)OC)([C@@H]1c1ccccc1)C(=O)OC.S(=O)(=O)(c1ccc(cc1)C)[C@@H]1C(C(=O)OC)([C@H]1c1ccccc1)C(=O)OC
• Title of publication: Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes
• Authors of publication: Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 9086 - 9091
• a: 13.8459 ± 0.0001 Å
• b: 10.3707 ± 0.0001 Å
• c: 26.6399 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3825.27 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No