Information card for entry 4024833

Structure parameters

• Common name: C70(CF3)10C2H4C6H2(MeO)2
• Chemical name: C70(CF3)10C2H4C6H2(MeO)2
• Formula: C104 H28 F30 O2
• Calculated formula: C104 H28 F30 O2
• Title of publication: Efficient Regioselective [4+2] Cycloaddition of o-Quinodimethane to C70(CF3)10
• Authors of publication: Yuta Takano; M. Ángeles Herranz; Ivan E. Kareev; Steven H. Strauss; Olga V. Boltalina; Takeshi Akasaka; Nazario Martín
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6902 - 6905
• a: 17.8857 ± 0.0012 Å
• b: 25.3005 ± 0.0012 Å
• c: 31.4601 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14236.2 ± 1.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No