Information card for entry 7124740

Structure parameters

• Chemical name: hexakis(carboxyphenyl)dodecadehydrotribenzo[18]annulene, fullerene, N,N-dimethylformamide, 1,2,4-trichlorobenzene solvate
• Formula: C162 H66 Cl8 N2 O14
• Calculated formula: C162 H66 Cl8 N2 O14
• 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: 16.2768 ± 0.0007 Å
• b: 16.3003 ± 0.0007 Å
• c: 23.6077 ± 0.0008 Å
• α: 94.242 ± 0.003°
• β: 95.588 ± 0.003°
• γ: 115.579 ± 0.004°
• Cell volume: 5575.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2061
• Residual factor for significantly intense reflections: 0.1414
• Weighted residual factors for significantly intense reflections: 0.3894
• Weighted residual factors for all reflections included in the refinement: 0.4453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.513
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No