Information card for entry 7718847

Structure parameters

• Formula: C38 H37 F6 N O3 P3 Re
• Calculated formula: C38 H37 F6 N O3 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: 12.7618 ± 0.0003 Å
• b: 15.3419 ± 0.0005 Å
• c: 19.2417 ± 0.0005 Å
• α: 90°
• β: 97.26 ± 0.002°
• γ: 90°
• Cell volume: 3737.13 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No