Information card for entry 4129987

Structure parameters

• Formula: C26 H19 F5 O
• Calculated formula: C26 H19 F5 O
• 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: 7.7536 ± 0.0003 Å
• b: 8.4647 ± 0.0004 Å
• c: 16.2224 ± 0.0008 Å
• α: 83.656 ± 0.002°
• β: 80.33 ± 0.002°
• γ: 65.602 ± 0.001°
• Cell volume: 954.85 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0609
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No