Information card for entry 7226366

Structure parameters

• Formula: C23 H25 F6 O6 P
• Calculated formula: C23 H25 F6 O6 P
• SMILES: P1(=O)(O[C@H](c2ccccc2)[C@@](O)(c2ccccc2)C(O)(C(F)(F)F)C(F)(F)F)OC(C)(C(O1)(C)C)C.P1(=O)(O[C@@H](c2ccccc2)[C@](O)(c2ccccc2)C(O)(C(F)(F)F)C(F)(F)F)OC(C)(C(O1)(C)C)C
• 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: 10.788 ± 0.013 Å
• b: 10.889 ± 0.013 Å
• c: 12.329 ± 0.015 Å
• α: 70.63 ± 0.02°
• β: 71.74 ± 0.02°
• γ: 67.883 ± 0.019°
• Cell volume: 1236 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1946
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2734
• Weighted residual factors for all reflections included in the refinement: 0.3522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No