Information card for entry 7123079

Structure parameters

• Formula: C38 H33 Al F15 O P
• Calculated formula: C38 H33 Al F15 O P
• Title of publication: Lewis Acid Base Chemistry of Bestmann’s Ylide, Ph3PCCO, and its Bulkier Analogue, (Cyclohexyl)3PCCO
• Authors of publication: Krempner, Clemens; Brar, Amandeep; Unruh, Daniel K.; Aquino, Adelia
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.1971 ± 0.0015 Å
• b: 15.351 ± 0.002 Å
• c: 21.663 ± 0.003 Å
• α: 90°
• β: 94.574 ± 0.002°
• γ: 90°
• Cell volume: 3711.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No