Information card for entry 7101783

Structure parameters

• Formula: C29 H20.5 B11 F4.5 I11
• Calculated formula: C29 H20.5 B11 F4.5 I11
• Title of publication: Isolating fluorinated carbocations.
• Authors of publication: Douvris, Christos; Stoyanov, Evgenii S; Tham, Fook S; Reed, Christopher A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1145 - 1147
• a: 10.0852 ± 0.0005 Å
• b: 20.8766 ± 0.0009 Å
• c: 22.2728 ± 0.001 Å
• α: 90°
• β: 96.2104 ± 0.0007°
• γ: 90°
• Cell volume: 4661.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No