Information card for entry 7101784

Structure parameters

• Formula: C20 H14 B11 F4 I11
• Calculated formula: C19.994 H13.995 B11 F3.999 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: 9.9226 ± 0.0002 Å
• b: 14.4389 ± 0.0002 Å
• c: 14.8328 ± 0.0002 Å
• α: 81.532 ± 0.0006°
• β: 85.2332 ± 0.0006°
• γ: 76.9732 ± 0.0006°
• Cell volume: 2045.1 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No