Information card for entry 1567628

Structure parameters

• Formula: C64 H66 Si2
• Calculated formula: C32 H33 Si
• Title of publication: Isomeric Dibenzooctazethrene Diradicals for High-Performance Air-Stable Organic Field-Effect Transistors
• Authors of publication: Zong, Chaoyang; Yang, Shuyuan; Sun, Yajing; Zhang, Lifeng; Hu, Jinlian; Hu, Wenping; Li, Rongjin; Sun, Zhe
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 18.2848 ± 0.0005 Å
• b: 7.9227 ± 0.0001 Å
• c: 19.28 ± 0.0006 Å
• α: 90°
• β: 117.08 ± 0.004°
• γ: 90°
• Cell volume: 2486.81 ± 0.14 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0285
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No