Information card for entry 7123075

Structure parameters

• Formula: C26 H33 Al2 O P
• Calculated formula: C26 H33 Al2 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: 8.6481 ± 0.001 Å
• b: 22.635 ± 0.003 Å
• c: 13.7034 ± 0.0016 Å
• α: 90°
• β: 90.665 ± 0.002°
• γ: 90°
• Cell volume: 2682.3 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No