Information card for entry 7101112

Structure parameters

• Formula: C87.5 H20 F38
• Calculated formula: C87.5 F38
• Title of publication: C2 C70F38 is aromatic, contains three planar hexagons, and has equatorial addends
• Authors of publication: Roger Taylor; Anthony G. Avent; Peter B. Hitchcock; Natalia Martsinovich; Pavel A. Troshin
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 1
• a: 12.1508 ± 0.0006 Å
• b: 15.516 ± 0.0007 Å
• c: 18.0125 ± 0.0008 Å
• α: 94.308 ± 0.003°
• β: 101.526 ± 0.002°
• γ: 106.457 ± 0.002°
• Cell volume: 3159.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2132
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.2671
• Weighted residual factors for all reflections included in the refinement: 0.3237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No