Information card for entry 7230849

Structure parameters

• Formula: C96 H60 O
• Calculated formula: C96 H60 O1.856
• 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: 11.962 ± 0.006 Å
• b: 32.625 ± 0.016 Å
• c: 15.124 ± 0.008 Å
• α: 90°
• β: 93.619 ± 0.008°
• γ: 90°
• Cell volume: 5891 ± 5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1996
• Residual factor for significantly intense reflections: 0.1193
• Weighted residual factors for significantly intense reflections: 0.3092
• Weighted residual factors for all reflections included in the refinement: 0.339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No