Information card for entry 7718848

Structure parameters

• Formula: C40 H43 F6 N3 O P3 Re
• Calculated formula: C40 H43 F6 N3 O P3 Re
• Title of publication: Syntheses and structures of chiral rhenium-containing phosphonium salts and phosphines with ReCH₂P̈Ar₂ or ReCH(R)P̈Ar₂ linkages; enantioselective catalysis of intramolecular Morita-Baylis-Hillman and Rauhut-Currier reactions.
• Authors of publication: Seidel, Florian O.; O'Brien, Michael J; Hampel, Frank; Gladysz, John A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 25
• Pages of publication: 10071 - 10084
• a: 11.8461 ± 0.0001 Å
• b: 16.0448 ± 0.0001 Å
• c: 21.0727 ± 0.0002 Å
• α: 90°
• β: 91.033 ± 0.001°
• γ: 90°
• Cell volume: 4004.6 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0514
• 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