Information card for entry 7126710

Structure parameters

• Formula: C16 H12 O3
• Calculated formula: C16 H12 O3
• Title of publication: Site-selective synthesis of 1,3-dioxin-3-ones via a gold(i) catalyzed cascade reaction.
• Authors of publication: An, Juzeng; Pedrazzani, Riccardo; Monari, Magda; Marin-Luna, Marta; Lopez, Carlos Silva; Bandini, Marco
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 56
• Pages of publication: 7734 - 7737
• a: 5.865 ± 0.002 Å
• b: 14.967 ± 0.005 Å
• c: 14.978 ± 0.005 Å
• α: 72.081 ± 0.01°
• β: 82.356 ± 0.012°
• γ: 84.576 ± 0.012°
• Cell volume: 1237.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1277
• Residual factor for significantly intense reflections: 0.1123
• Weighted residual factors for significantly intense reflections: 0.2647
• Weighted residual factors for all reflections included in the refinement: 0.2837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No