Information card for entry 7134772

Structure parameters

• Formula: C27 H20 O3
• Calculated formula: C27 H20 O3
• Title of publication: Synthesis of functionalized lactones: catalytic cross-coupling of 1,2-diols and allylic alcohols.
• Authors of publication: Maharana, Priyanka; Sankar, Raman Vijaya; Sankaralingam, Muniyandi; Gunanathan, Chidambaram
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 64
• Pages of publication: 11947 - 11950
• a: 8.4872 ± 0.0004 Å
• b: 10.3122 ± 0.0005 Å
• c: 11.7926 ± 0.0005 Å
• α: 96.838 ± 0.004°
• β: 107.111 ± 0.004°
• γ: 99.692 ± 0.004°
• Cell volume: 956.65 ± 0.08 ų
• Cell temperature: 295.1 ± 0.4 K
• Ambient diffraction temperature: 295.1 ± 0.4 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: 0.0574
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No