Information card for entry 7245299

Structure parameters

• Formula: C14 H27 K O8
• Calculated formula: C14 H27 K O8
• 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: 15.4395 ± 0.0012 Å
• b: 10.8481 ± 0.0009 Å
• c: 10.6569 ± 0.0008 Å
• α: 90°
• β: 99.627 ± 0.003°
• γ: 90°
• Cell volume: 1759.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.068
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No