Information card for entry 4108651

Structure parameters

• Formula: C36 H23 B F20 Si2
• Calculated formula: C36 H23 B F20 Si2
• SMILES: [Si]1([C+]([Si](CCC1)(C)C)[C]C1CC1)(C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Molecular Structure of a Cyclopropyl Substituted Vinyl Cation
• Authors of publication: Andrea Klaer; Wolfgang Saak; Detlev Haase; Thomas Müller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14956 - 14957
• a: 14.2388 ± 0.0007 Å
• b: 14.312 ± 0.0006 Å
• c: 18.3101 ± 0.001 Å
• α: 90°
• β: 105.74 ± 0.006°
• γ: 90°
• Cell volume: 3591.4 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.704
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No