Information card for entry 7160436

Structure parameters

• Formula: C19 H20 O3 S
• Calculated formula: C19 H20 O3 S
• Title of publication: One-pot chemoselective aerobic synthesis of allyl-aryl sulfinyls by photoinduced Na₂ - eosin Y.
• Authors of publication: Ballanki, Trinadh; Subramanian, Aishwarya; Viswambharan, Baby
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 4152 - 4160
• a: 5.2763 ± 0.0004 Å
• b: 22.1253 ± 0.0017 Å
• c: 14.7638 ± 0.0012 Å
• α: 90°
• β: 95.053 ± 0.002°
• γ: 90°
• Cell volume: 1716.8 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No