Information card for entry 7245297

Structure parameters

• Formula: C12 H29 K O6
• Calculated formula: C12 H29 K O6
• Title of publication: Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts
• Authors of publication: Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.5398 ± 0.0003 Å
• b: 11.8631 ± 0.0004 Å
• c: 17.8926 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1812.67 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No