Information card for entry 7131545

Structure parameters

• Formula: C22 H28 O4 S
• Calculated formula: C22 H28 O4 S
• SMILES: S(=O)(=O)(C1=C([C@H]2C[C@@H](O)C=C[C@]2(OC1)C)c1ccccc1)C1CCCCC1
• Title of publication: A visible light mediated alkyl sulfonylative cascade using Hantzsch esters <i>via</i> SO₂ insertion.
• Authors of publication: Halder, Indranil; Nair, Akshay M.; Volla, Chandra M. R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 39
• Pages of publication: 5862 - 5865
• a: 10.5572 ± 0.0002 Å
• b: 12.2026 ± 0.0002 Å
• c: 15.4049 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1984.54 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0379
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No