Information card for entry 7135279

Structure parameters

• Formula: C26 H32 O4 S
• Calculated formula: C26 H32 O4 S
• Title of publication: Rh-catalyzed chemodivergent [4+1]-annulation/allylation of sulfoxonium ylides with α-methylene-β-lactones: access to α-indanonyl/α-benzyl acrylates
• Authors of publication: Samantaray, Swati; Saha, Sharajit; Punniyamurthy, Tharmalingam
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 21.4284 ± 0.0015 Å
• b: 10.2324 ± 0.0007 Å
• c: 11.5649 ± 0.0008 Å
• α: 90°
• β: 105.207 ± 0.002°
• γ: 90°
• Cell volume: 2447 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 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: 0.138
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No