Information card for entry 7226367

Structure parameters

• Formula: C23 H23 F6 O5 P
• Calculated formula: C23 H23 F6 O5 P
• SMILES: P123(O[C@@](OC3(C(F)(F)F)C(F)(F)F)(c3ccccc3)[C@H](O2)c2ccccc2)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: 9.485 ± 0.006 Å
• b: 11.002 ± 0.007 Å
• c: 12.115 ± 0.008 Å
• α: 90°
• β: 101.517 ± 0.008°
• γ: 90°
• Cell volume: 1238.8 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No