Information card for entry 4128903

Structure parameters

• Formula: C33 H40 B F4 Fe O4 P
• Calculated formula: C33 H40 B F4 Fe O4 P
• Title of publication: Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes.
• Authors of publication: Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 34
• Pages of publication: 13336 - 13340
• a: 9.9636 ± 0.001 Å
• b: 12.7003 ± 0.0013 Å
• c: 13.9821 ± 0.0015 Å
• α: 80.831 ± 0.004°
• β: 69.746 ± 0.004°
• γ: 70.594 ± 0.003°
• Cell volume: 1563.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.176
• Residual factor for significantly intense reflections: 0.1411
• Weighted residual factors for significantly intense reflections: 0.3506
• Weighted residual factors for all reflections included in the refinement: 0.3753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No