Information card for entry 7134063

Structure parameters

• Formula: C22 H24 O4
• Calculated formula: C22 H24 O4
• Title of publication: Synthesis of polysubstituted tetrahydrofurans <i>via</i> visible light-induced De Mayo acetalization of benzoylacetones.
• Authors of publication: Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Chien, Su-Ying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 10
• Pages of publication: 2040 - 2043
• a: 8.3493 ± 0.0007 Å
• b: 10.3182 ± 0.0008 Å
• c: 12.4869 ± 0.001 Å
• α: 111.527 ± 0.003°
• β: 96.606 ± 0.003°
• γ: 104.002 ± 0.003°
• Cell volume: 945.89 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1118
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No