Information card for entry 7707142

Structure parameters

• Formula: C79.5 H4 F48
• Calculated formula: C79.5 H3.5 F48
• Title of publication: Trifluoromethyl derivatives of pentagon-fused C₆₀: ¹⁸⁰⁹C₆₀(CF₃)_n (n = 10, 12, 14, 16).
• Authors of publication: Tamm, Nadezhda B.; Markov, Vitaliy Yu; Troyanov, Sergey I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 17
• Pages of publication: 5765 - 5769
• a: 12.484 ± 0.001 Å
• b: 13.298 ± 0.001 Å
• c: 20.898 ± 0.002 Å
• α: 102.01 ± 0.01°
• β: 90.67 ± 0.01°
• γ: 115.74 ± 0.01°
• Cell volume: 3036.1 ± 0.5 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: 0.1774
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.8266 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No