Information card for entry 7123076

Structure parameters

• Formula: C43 H36 Br N2 O P
• Calculated formula: C43 H36 Br N2 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: 10.3865 ± 0.0008 Å
• b: 13.6653 ± 0.001 Å
• c: 14.2202 ± 0.0011 Å
• α: 113.839 ± 0.001°
• β: 90.969 ± 0.001°
• γ: 102.464 ± 0.001°
• Cell volume: 1790.3 ± 0.2 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: 0.0396
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No