Information card for entry 1553751

Structure parameters

• Common name: 10,10"-dioxyl-9,9':10',9"-teranthrylene
• Formula: C54 H48 O8
• Calculated formula: C54 H48 O8
• Title of publication: Anthroxyl-based biradical: toward the construction of highly stable multi-spin systems
• Authors of publication: Hirao, Yasukazu; Konishi, Akihito; Kubo, Takashi
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 828
• a: 8.9558 ± 0.0013 Å
• b: 9.4432 ± 0.0013 Å
• c: 13.6247 ± 0.0018 Å
• α: 92.926 ± 0.003°
• β: 95.287 ± 0.004°
• γ: 111 ± 0.003°
• Cell volume: 1066.8 ± 0.3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 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: 0.1807
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No