Information card for entry 7123073

Structure parameters

• Formula: C20 H15 O P
• Calculated formula: C20 H15 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: 10.703 ± 0.01 Å
• b: 10.124 ± 0.009 Å
• c: 14.561 ± 0.013 Å
• α: 90°
• β: 93.534 ± 0.014°
• γ: 90°
• Cell volume: 1575 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No