Information card for entry 7105701

Structure parameters

• Formula: C42.5 H40 B Cl3 F15 P
• Calculated formula: C42.5 H39 B Cl3 F15 P
• Title of publication: Ring-Opening of Cyclopropanes by Frustrated Lewis Pairs
• Authors of publication: Jason Morton; Meghan Dureen; Douglas Stephan
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 8947
• a: 19.5216 ± 0.0006 Å
• b: 21.1148 ± 0.0006 Å
• c: 21.3064 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8782.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No