Information card for entry 7104933

Structure parameters

• Formula: C115.6 H12 F54
• Calculated formula: C115.6 F54
• Title of publication: Cage connectivities of C88 (33) and C92 (82) fullerenes captured as trifluoromethyl derivatives, C88(CF3)18 and C92(CF3)16.
• Authors of publication: Troyanov, Sergey I; Tamm, Nadezhda B
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 6035 - 6037
• a: 13.641 ± 0.001 Å
• b: 15.672 ± 0.001 Å
• c: 22.165 ± 0.002 Å
• α: 79.967 ± 0.005°
• β: 77.09 ± 0.005°
• γ: 81.57 ± 0.004°
• Cell volume: 4519.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1522
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.415
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No