Information card for entry 4129991

Structure parameters

• Formula: C108 H112 Cl6 O6
• Calculated formula: C108 H112 Cl6 O6
• 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: 15.7254 ± 0.0008 Å
• b: 16.3 ± 0.0008 Å
• c: 19.7644 ± 0.001 Å
• α: 88.0843 ± 0.0009°
• β: 73.1877 ± 0.0009°
• γ: 70.5165 ± 0.0009°
• Cell volume: 4560.7 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0871
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No