Information card for entry 4129990

Structure parameters

• Formula: C58 H60 O2
• Calculated formula: C58 H60 O2
• Title of publication: Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.
• Authors of publication: Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 3
• Pages of publication: 1065 - 1077
• a: 26.3642 ± 0.0016 Å
• b: 16.1386 ± 0.0009 Å
• c: 23.42 ± 0.002 Å
• α: 90°
• β: 119.461 ± 0.0018°
• γ: 90°
• Cell volume: 8676.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No