Information card for entry 4034305

Structure parameters

• Formula: C64 H90 S2 Si4
• Calculated formula: C64 H90 S2 Si4
• Title of publication: Isomeric Pyrenodithiophenediones and Their Derivatives: Synthesis, Reactivity, and Device Performance.
• Authors of publication: Zhou, Chenxi; Gu, Wen; Zhang, Guowei; Liu, Lele; Lv, Aifeng; Zhang, Lei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5936 - 5942
• a: 8.5273 ± 0.0003 Å
• b: 17.779 ± 0.0007 Å
• c: 20.8815 ± 0.0008 Å
• α: 99.94 ± 0.003°
• β: 93.813 ± 0.003°
• γ: 95.177 ± 0.003°
• Cell volume: 3094.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.1516
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No