Information card for entry 7101782

Structure parameters

• Formula: C21 H12 B11 Cl11 F6
• Calculated formula: C21 H12 B11 Cl11 F6
• 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: 12.0604 ± 0.0004 Å
• b: 14.3581 ± 0.0005 Å
• c: 20.1013 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3480.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No