Information card for entry 7230850

Structure parameters

• Formula: C180 H80 Cl4
• Calculated formula: C180 H80 Cl4
• Title of publication: 1,3-Phenylene-bridged naphthalene wheels synthesized by one-pot Suzuki‒Miyaura coupling and the complex of the hexamer with C60
• Authors of publication: Mei, Peifeng; Matsumoto, Akinobu; Hayashi, Hironobu; Suzuki, Mitsuharu; Aratani, Naoki; Yamada, Hiroko
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 37
• Pages of publication: 20872
• a: 11.11 ± 0.005 Å
• b: 14.775 ± 0.006 Å
• c: 17.361 ± 0.007 Å
• α: 94.214 ± 0.007°
• β: 94.286 ± 0.007°
• γ: 101.721 ± 0.007°
• Cell volume: 2771 ± 2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.15
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No