Information card for entry 7160692

Structure parameters

• Formula: C14 H24 O4
• Calculated formula: C14 H24 O4
• Title of publication: Synthesis of unsymmetrical bisperoxides <i>via</i> semicarbazone ozonolysis in the presence of hydroperoxides.
• Authors of publication: Budekhin, Roman A.; Sliguzova, Darya Yu; Fomenkov, Dmitri I.; Baranin, Sergei V.; Terent'ev, Alexander O.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 36
• Pages of publication: 8259 - 8266
• a: 6.37131 ± 0.00004 Å
• b: 22.56666 ± 0.00017 Å
• c: 19.24769 ± 0.00013 Å
• α: 90°
• β: 95.9112 ± 0.0006°
• γ: 90°
• Cell volume: 2752.7 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No