Information card for entry 7124741

Structure parameters

• Chemical name: hexakis(carboxyphenyl)dodecadehydrotribenzo[18]annulene, fullerene, 1,2,4-trichlorobenzene solvate
• Formula: C156 H51 Cl8 O12
• Calculated formula: C155.994 H51 Cl8 O12
• Title of publication: Alignment of paired molecules of C60 within a hexagonal platform networked through hydrogen-bonds.
• Authors of publication: Hisaki, Ichiro; Nakagawa, Shoichi; Sato, Hiroyasu; Tohnai, Norimitsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 63
• Pages of publication: 9781 - 9784
• a: 13.8208 ± 0.0004 Å
• b: 17.4812 ± 0.0006 Å
• c: 24.2884 ± 0.0009 Å
• α: 76.082 ± 0.003°
• β: 87.204 ± 0.003°
• γ: 70.991 ± 0.003°
• Cell volume: 5382.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2079
• Residual factor for significantly intense reflections: 0.1497
• Weighted residual factors for significantly intense reflections: 0.4025
• Weighted residual factors for all reflections included in the refinement: 0.4352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.478
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No