Information card for entry 7150998

Structure parameters

• Common name: 1-((1-Methoxycyclohexyl)peroxy)cyclododecyl hydroperoxide
• Chemical name: 1-[(1-Methoxycyclohexyl)peroxy]cyclododecyl hydroperoxide
• Formula: C19 H36 O5
• Calculated formula: C19 H36 O5
• SMILES: O(C1(OOC2(OO)CCCCCCCCCCC2)CCCCC1)C
• Title of publication: Synthesis of 1-hydroperoxy-1′-alkoxyperoxides by the iodine-catalyzed reactions of geminal bishydroperoxides with acetals or enol ethers
• Authors of publication: Terent'ev, Alexander O.; Platonov, Maxim M.; Krylov, Igor B.; Chernyshev, Vladimir V.; Nikishin, Gennady I.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 23
• Pages of publication: 4435 - 4441
• a: 8.3859 ± 0.0013 Å
• b: 10.982 ± 0.0014 Å
• c: 11.3351 ± 0.0016 Å
• α: 109.105 ± 0.011°
• β: 95.714 ± 0.012°
• γ: 93.578 ± 0.012°
• Cell volume: 976.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1259
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No