Information card for entry 7226365

Structure parameters

• Formula: C6 H15 O5 P
• Calculated formula: C6 H15 O5 P
• SMILES: P1(=O)(OC(C)(C(O1)(C)C)C)O.O
• Title of publication: Synthesis, Crystal Structure and Hydrolysis of Novel Isomeric Cage (P‒C/P‒O)-Phosphoranes on the basis of 4,4,5,5-Tetramethyl-2-(2-oxo-1,2-diphenylethoxy)-1,3,2-dioxaphospholane and Hexafluoroacetone
• Authors of publication: Khasiyatullina, Nadezhda; Mironov, Vladimir Fedorovich; Krivolapov, Dmitry; Mironova, Ekaterina V.; Gnezdilov, Oleg I.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.39 ± 0.015 Å
• b: 10.62 ± 0.03 Å
• c: 14.67 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 996 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.698
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No