Information card for entry 7044757

Structure parameters

• Formula: C56 H52 F12 N2 O13 P2 S4
• Calculated formula: C56 H52 F12 N2 O13 P2 S4
• Title of publication: Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction
• Authors of publication: Barrado, Alejandro G.; Bayne, Julia M.; Johnstone, Timothy C.; Lehmann, Christian W.; Stephan, Douglas W.; Alcarazo, Manuel
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 26.974 ± 0.004 Å
• b: 14.0542 ± 0.0018 Å
• c: 17.075 ± 0.002 Å
• α: 90°
• β: 108.586 ± 0.003°
• γ: 90°
• Cell volume: 6135.5 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No