Information card for entry 7123074

Structure parameters

• Formula: C45 H41 B F15 O P
• Calculated formula: C45 H41 B 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: 11.2805 ± 0.0014 Å
• b: 13.0713 ± 0.0017 Å
• c: 15.639 ± 0.002 Å
• α: 102.466 ± 0.002°
• β: 110.532 ± 0.002°
• γ: 96.26 ± 0.002°
• Cell volume: 2065.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No