Information card for entry 1576319

Structure parameters

• Formula: C14 H20 O5
• Calculated formula: C14 H20 O5
• Title of publication: "Trading" a C[double bond, length as m-dash]C moiety for four C-O bonds and a peroxide: combining ozone and <i>O</i>-nucleophiles for peroxidative ring expansion of cycloalkenes into medium-sized 1,2-dioxacycloalkanes.
• Authors of publication: Budekhin, Roman A.; Fomenkov, Dmitri I.; Ustyuzhanin, Alexander O.; Sliguzova, Darya Yu; Skokova, Ksenia V.; Vil', Vera A.; Alabugin, Igor V.; Terent'ev, Alexander O.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 21806 - 21814
• a: 8.5337 ± 0.0001 Å
• b: 11.1285 ± 0.0001 Å
• c: 28.2876 ± 0.0003 Å
• α: 90°
• β: 97.031 ± 0.001°
• γ: 90°
• Cell volume: 2666.19 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No