Information card for entry 7135280

Structure parameters

• Formula: C17 H18 O3
• Calculated formula: C17 H18 O3
• 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: 8.4589 ± 0.0006 Å
• b: 9.2758 ± 0.0006 Å
• c: 9.7016 ± 0.0006 Å
• α: 93.006 ± 0.002°
• β: 108.39 ± 0.001°
• γ: 93.186 ± 0.002°
• Cell volume: 719.26 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No