Information card for entry 7216577

Structure parameters

• Common name: diPhAnthracene-C60
• Chemical name: Diphenyl anthracene fullerene-C60 complex
• Formula: C86 H18
• Calculated formula: C86 H18
• Title of publication: Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents
• Authors of publication: Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 104
• Pages of publication: 618
• a: 25.2074 ± 0.0016 Å
• b: 9.8028 ± 0.0006 Å
• c: 17.4609 ± 0.0011 Å
• α: 90°
• β: 94.077 ± 0.001°
• γ: 90°
• Cell volume: 4303.7 ± 0.5 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No