Information card for entry 7226368

Structure parameters

• Formula: C23 H23 F6 O5 P
• Calculated formula: C23 H23 F6 O5 P
• SMILES: P123(O[C@@](c4ccccc4)(C(O1)(C(F)(F)F)C(F)(F)F)[C@@H](O2)c1ccccc1)OC(C(O3)(C)C)(C)C.P123(O[C@](c4ccccc4)(C(O1)(C(F)(F)F)C(F)(F)F)[C@H](O2)c1ccccc1)OC(C(O3)(C)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: 12.65 ± 0.005 Å
• b: 16.695 ± 0.006 Å
• c: 22.988 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4855 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No